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(Nc1ccc(I)cc1Cl)c1cccc(Br)c1[O-] ZINC001441328742 1066028788 /nfs/dbraw/zinc/02/87/88/1066028788.db2.gz QXFMJCMDGLPACE-UHFFFAOYSA-N -1 0 452.473 4.665 20 0 JJADRM C[C@H](NC(=O)c1csc(-c2ccoc2)n1)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC001545853915 1064263208 /nfs/dbraw/zinc/26/32/08/1064263208.db2.gz WJFOYAHDIYEEPL-ZDUSSCGKSA-N -1 0 459.574 4.756 20 0 JJADRM CCOC(=O)c1sc(-c2cccc(Br)c2)cc1[N-]C(=O)c1cc(OC)no1 ZINC001435250014 1064626602 /nfs/dbraw/zinc/62/66/02/1064626602.db2.gz MARUNIKRDJACHK-UHFFFAOYSA-N -1 0 451.298 4.603 20 0 JJADRM O=C([N-][C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)C(F)(F)c1cccc(Cl)c1Cl ZINC001435587594 1064852238 /nfs/dbraw/zinc/85/22/38/1064852238.db2.gz MFYYNCVPRJTVHJ-SECBINFHSA-N -1 0 451.659 4.799 20 0 JJADRM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)c1 ZINC001436239433 1065272192 /nfs/dbraw/zinc/27/21/92/1065272192.db2.gz BMPGVGBMKXUQJV-UHFFFAOYSA-N -1 0 450.388 4.737 20 0 JJADRM O=C(Nc1nnc(C2CCOCC2)s1)c1cnc(-c2ccccc2Br)s1 ZINC001436539054 1065350539 /nfs/dbraw/zinc/35/05/39/1065350539.db2.gz NXLICUGWZQAOIM-UHFFFAOYSA-N -1 0 451.371 4.570 20 0 JJADRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)NCCCC2CCCC2)c1 ZINC001440301160 1065929097 /nfs/dbraw/zinc/92/90/97/1065929097.db2.gz CEXJLCZMURWGGJ-UHFFFAOYSA-N -1 0 450.988 4.850 20 0 JJADRM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C=C3CCC(C)CC3)ccc2OC)cc1 ZINC001440590885 1065952475 /nfs/dbraw/zinc/95/24/75/1065952475.db2.gz CLQKONUCOZWJNW-UHFFFAOYSA-N -1 0 458.580 4.970 20 0 JJADRM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@]3(C)CC=C(C)CC3)ccc2OC)cc1 ZINC001440593427 1065952614 /nfs/dbraw/zinc/95/26/14/1065952614.db2.gz HIUGWPIOQWNEQD-DEOSSOPVSA-N -1 0 458.580 4.970 20 0 JJADRM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@]3(C)CC=C(C)CC3)ccc2OC)cc1 ZINC001440593433 1065952951 /nfs/dbraw/zinc/95/29/51/1065952951.db2.gz HIUGWPIOQWNEQD-XMMPIXPASA-N -1 0 458.580 4.970 20 0 JJADRM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C3(C4CCC4)CCC3)ccc2OC)cc1 ZINC001440598872 1065953537 /nfs/dbraw/zinc/95/35/37/1065953537.db2.gz USUSNNLCCASBCE-UHFFFAOYSA-N -1 0 458.580 4.804 20 0 JJADRM O=C(Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1F)c1ccnc(Cl)c1F ZINC001441187522 1066013014 /nfs/dbraw/zinc/01/30/14/1066013014.db2.gz MLHTWBKYCLHVQO-UHFFFAOYSA-N -1 0 458.273 4.720 20 0 JJADRM O=Cc1ccc(/C=C\C(=O)Nc2cc(Cl)ccc2[N-]S(=O)(=O)c2ccccc2F)cc1 ZINC001441192367 1066014168 /nfs/dbraw/zinc/01/41/68/1066014168.db2.gz YBQBISXUWDVMPG-XFXZXTDPSA-N -1 0 458.898 4.744 20 0 JJADRM Cc1sc(CC(=O)Nc2ccc(F)c([N-]S(=O)(=O)c3cccs3)c2)nc1C(C)C ZINC001441548393 1066050150 /nfs/dbraw/zinc/05/01/50/1066050150.db2.gz NKXHPQFKUGAOQP-UHFFFAOYSA-N -1 0 453.586 4.758 20 0 JJADRM CCC(CC)n1nc(C(=O)Nc2ccc(F)c([N-]S(=O)(=O)c3cccs3)c2)cc1C ZINC001441548418 1066050321 /nfs/dbraw/zinc/05/03/21/1066050321.db2.gz OAPBEGPPUBLORH-UHFFFAOYSA-N -1 0 450.561 4.806 20 0 JJADRM Cc1cccc(OC[C@H](C)NC(=O)c2ccc(Cl)cc2[N-]S(=O)(=O)c2ccccc2)c1 ZINC001441982745 1066083898 /nfs/dbraw/zinc/08/38/98/1066083898.db2.gz MYDSJBZDMFRWNO-KRWDZBQOSA-N -1 0 458.967 4.647 20 0 JJADRM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCCOC2CCCCC2)ccc1Cl ZINC001442099371 1066092983 /nfs/dbraw/zinc/09/29/83/1066092983.db2.gz GXSSETJXDTUXDF-UHFFFAOYSA-N -1 0 450.988 4.528 20 0 JJADRM CC(C)(C)Oc1ccc(CNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC001442298719 1066113028 /nfs/dbraw/zinc/11/30/28/1066113028.db2.gz OQZDOEFHRIHTEV-UHFFFAOYSA-N -1 0 456.539 4.734 20 0 JJADRM COc1ccccc1C[C@@H](C)N(Cc1ccccc1)C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC001442540379 1066134279 /nfs/dbraw/zinc/13/42/79/1066134279.db2.gz UEFJMJCUXZDSLD-LJQANCHMSA-N -1 0 459.521 4.999 20 0 JJADRM Cc1ccc(OCCNC(=O)c2nn(-c3ccc(Cl)cc3C(F)(F)F)cc2[O-])c(C)c1 ZINC001442762735 1066158250 /nfs/dbraw/zinc/15/82/50/1066158250.db2.gz GGUKZILGRKXIHR-UHFFFAOYSA-N -1 0 453.848 4.676 20 0 JJADRM CC(C)(C)OC(=O)N1CCc2cc(NC(=O)c3cc(Br)c(F)cc3[O-])ccc21 ZINC001443050698 1066259010 /nfs/dbraw/zinc/25/90/10/1066259010.db2.gz RKQPDQIEHDFJOS-UHFFFAOYSA-N -1 0 451.292 4.844 20 0 JJADRM COc1cccc(Cn2c(NC(=O)c3cccc(Br)c3[O-])nc3ccccc32)c1 ZINC001443056142 1066260567 /nfs/dbraw/zinc/26/05/67/1066260567.db2.gz YYDSFGFXELYOJT-UHFFFAOYSA-N -1 0 452.308 4.814 20 0 JJADRM C[C@H](CC1CCC1)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC001454338830 1066272513 /nfs/dbraw/zinc/27/25/13/1066272513.db2.gz IHGSNEUWOVVMPT-CQSZACIVSA-N -1 0 451.386 4.558 20 0 JJADRM O=Cc1ccc(-c2ccc(C(=O)NCc3cccc(C(=O)OCc4ccccc4)c3)c([O-])c2)o1 ZINC001443152780 1066274597 /nfs/dbraw/zinc/27/45/97/1066274597.db2.gz BPFOYUYRHOZZJO-UHFFFAOYSA-N -1 0 455.466 4.752 20 0 JJADRM CN(C)C(=O)Sc1ccccc1NC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC001443155670 1066275310 /nfs/dbraw/zinc/27/53/10/1066275310.db2.gz TWDMJTPYROCTSW-UHFFFAOYSA-N -1 0 450.442 4.623 20 0 JJADRM Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)c2cc(F)c(F)c([O-])c2F)C3)cc1 ZINC001443305713 1066293185 /nfs/dbraw/zinc/29/31/85/1066293185.db2.gz VNHAGASPFMGYEA-UHFFFAOYSA-N -1 0 455.436 4.960 20 0 JJADRM C[C@@H](CNC(=O)c1cc2ccccc2cc1[N-]S(=O)(=O)c1cccs1)c1ccncc1 ZINC001454550763 1066300080 /nfs/dbraw/zinc/30/00/80/1066300080.db2.gz YWDNGQVSJSKZBF-INIZCTEOSA-N -1 0 451.573 4.631 20 0 JJADRM O=C(COc1ccc(Cl)cc1C1CCCCC1)N[C@@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1 ZINC001454662267 1066317954 /nfs/dbraw/zinc/31/79/54/1066317954.db2.gz KLMVWKBXXZURLW-FQEVSTJZSA-N -1 0 454.958 4.690 20 0 JJADRM CC1(C)CCC[C@@](O)(CNC(=O)c2nn(-c3ccc(Cl)cc3C(F)(F)F)cc2[O-])CC1 ZINC001454689751 1066319965 /nfs/dbraw/zinc/31/99/65/1066319965.db2.gz NZTHAHYYFBORSQ-FQEVSTJZSA-N -1 0 459.896 4.701 20 0 JJADRM O=C(NC[C@@H]1CC=CC[C@H]1C(F)(F)F)c1cc(Br)cc(Br)c1[O-] ZINC001454881975 1066338217 /nfs/dbraw/zinc/33/82/17/1066338217.db2.gz RLYKFOCMHXBEQG-GZMMTYOYSA-N -1 0 457.084 4.792 20 0 JJADRM O=C(CCCCCn1c(=O)c2ccccc2[n-]c1=S)N1CCC[C@@](F)(c2ccccc2)C1 ZINC001454930635 1066343161 /nfs/dbraw/zinc/34/31/61/1066343161.db2.gz JRJDQZCNQVDETF-VWLOTQADSA-N -1 0 453.583 4.733 20 0 JJADRM CC[C@@H](C)Oc1cccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2C)n1 ZINC001455012169 1066353423 /nfs/dbraw/zinc/35/34/23/1066353423.db2.gz WJXLAAQSYJXSAK-MRXNPFEDSA-N -1 0 457.527 4.760 20 0 JJADRM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 ZINC001443865139 1066378038 /nfs/dbraw/zinc/37/80/38/1066378038.db2.gz UNPVIXMQKBBYKQ-UHFFFAOYSA-N -1 0 458.415 4.807 20 0 JJADRM COc1ccc(CCN(CC(C)C)C(=O)c2cc(Br)c(F)cc2[O-])cc1OC ZINC001443900730 1066383622 /nfs/dbraw/zinc/38/36/22/1066383622.db2.gz WAAOAVPODWWUCI-UHFFFAOYSA-N -1 0 454.336 4.652 20 0 JJADRM COc1ccc(C(=O)N2CCC[C@@]3(CC=CCC3)C2)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC001443897581 1066383726 /nfs/dbraw/zinc/38/37/26/1066383726.db2.gz QNLCADOJRSFJIV-VWLOTQADSA-N -1 0 454.592 4.767 20 0 JJADRM Cc1ccc(C[C@H](C)NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2C)c(C)c1 ZINC001443950372 1066387485 /nfs/dbraw/zinc/38/74/85/1066387485.db2.gz RIPCKOPCXBNPGR-IBGZPJMESA-N -1 0 454.567 4.913 20 0 JJADRM COc1ccc(C(=O)NCC(C)(C)c2cccs2)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC001443973637 1066389888 /nfs/dbraw/zinc/38/98/88/1066389888.db2.gz QJGIQHQURACOJK-UHFFFAOYSA-N -1 0 458.605 4.574 20 0 JJADRM Cc1nc2c(cccc2CCNC(=O)c2ccsc2NC(=O)c2ccc(Cl)cc2[O-])o1 ZINC001455540494 1066407726 /nfs/dbraw/zinc/40/77/26/1066407726.db2.gz JHIMMQWTDYGXDL-UHFFFAOYSA-N -1 0 455.923 4.782 20 0 JJADRM O=C(CCCCCn1c(=O)c2ccccc2[n-]c1=S)NCC1(c2cccc(F)c2)CCC1 ZINC001455543392 1066408769 /nfs/dbraw/zinc/40/87/69/1066408769.db2.gz YFMFDSJGMXLJTD-UHFFFAOYSA-N -1 0 453.583 4.623 20 0 JJADRM COc1cccc([C@H](NC(=O)c2nn(-c3ccccc3F)cc2[O-])c2ccccc2Cl)c1 ZINC001444255761 1066435924 /nfs/dbraw/zinc/43/59/24/1066435924.db2.gz AQRJRBQZDLBTDI-QFIPXVFZSA-N -1 0 451.885 4.898 20 0 JJADRM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC001444326857 1066449318 /nfs/dbraw/zinc/44/93/18/1066449318.db2.gz UPFFCXVEKYITGD-BLVKFPJESA-N -1 0 453.848 4.756 20 0 JJADRM O=C(NC1(c2ccccc2F)CC1)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC001444327140 1066450080 /nfs/dbraw/zinc/45/00/80/1066450080.db2.gz UWTMDBHTVSJOBT-UHFFFAOYSA-N -1 0 450.944 4.761 20 0 JJADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N[C@@H](C(=O)OC(C)(C)C)c3ccc(F)cc3)n2)cc1 ZINC001455944763 1066457004 /nfs/dbraw/zinc/45/70/04/1066457004.db2.gz LIQWWZIZTAFHAO-OAQYLSRUSA-N -1 0 453.514 4.653 20 0 JJADRM C[C@H](NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1)c1ncc(-c2ccccc2)o1 ZINC001444453690 1066462668 /nfs/dbraw/zinc/46/26/68/1066462668.db2.gz WSISRWUMJWWDOH-HNNXBMFYSA-N -1 0 453.545 4.695 20 0 JJADRM C[C@@H](NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1)c1ncc(-c2ccccc2)o1 ZINC001444453693 1066462727 /nfs/dbraw/zinc/46/27/27/1066462727.db2.gz WSISRWUMJWWDOH-OAHLLOKOSA-N -1 0 453.545 4.695 20 0 JJADRM Cc1ccc(-n2c3ccc(C)cc3nc2NC(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)cc1 ZINC001361170099 1066485008 /nfs/dbraw/zinc/48/50/08/1066485008.db2.gz CWMFUTPNTDMHNK-UHFFFAOYSA-N -1 0 456.424 4.666 20 0 JJADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N[C@H](C)c3nc(-c4ccc(Cl)cc4)no3)n2)c1 ZINC001456271175 1066551730 /nfs/dbraw/zinc/55/17/30/1066551730.db2.gz QVAURCLRGBPYDR-CQSZACIVSA-N -1 0 451.914 4.896 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N2CC[C@H](c3ccccc3)[C@H]2C)c1 ZINC001445294364 1066555438 /nfs/dbraw/zinc/55/54/38/1066555438.db2.gz FUYGGMWMKFQDKB-GCJKJVERSA-N -1 0 450.560 4.514 20 0 JJADRM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc(C2CCCCC2)[nH]n1 ZINC001445328358 1066557390 /nfs/dbraw/zinc/55/73/90/1066557390.db2.gz FELOXPPAWJKOHJ-UHFFFAOYSA-N -1 0 456.543 4.958 20 0 JJADRM CCS[C@@H]1CCC[C@@H](NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2C)C1 ZINC001445336762 1066558739 /nfs/dbraw/zinc/55/87/39/1066558739.db2.gz XQBYFGWTWDNXOG-QZTJIDSGSA-N -1 0 450.601 4.729 20 0 JJADRM CCS[C@@H]1CCC[C@H](NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2C)C1 ZINC001445336764 1066558942 /nfs/dbraw/zinc/55/89/42/1066558942.db2.gz XQBYFGWTWDNXOG-ZWKOTPCHSA-N -1 0 450.601 4.729 20 0 JJADRM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N(C)Cc2cc3ccccc3o2)cc1 ZINC001445381840 1066565560 /nfs/dbraw/zinc/56/55/60/1066565560.db2.gz VIZDTUGCCJUPSO-UHFFFAOYSA-N -1 0 450.516 4.514 20 0 JJADRM CCO[C@H](CCNC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(C)cc1)C1CCCC1 ZINC001445402793 1066567746 /nfs/dbraw/zinc/56/77/46/1066567746.db2.gz JGLFLSYLPNBYHV-LJQANCHMSA-N -1 0 450.626 4.573 20 0 JJADRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC001446227540 1066675775 /nfs/dbraw/zinc/67/57/75/1066675775.db2.gz GQMCCVOAIAPJKC-UHFFFAOYSA-N -1 0 455.294 4.891 20 0 JJADRM CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1[C@H]1CCCO1 ZINC001446235267 1066676420 /nfs/dbraw/zinc/67/64/20/1066676420.db2.gz XMRHUJSEFLBREM-JCURWCKSSA-N -1 0 459.370 4.832 20 0 JJADRM COc1ccccc1/C(C)=C/C(=O)N[C@H](C)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC001446276438 1066683819 /nfs/dbraw/zinc/68/38/19/1066683819.db2.gz QSUKPUXOJVTCJT-INFVRCAFSA-N -1 0 456.589 4.838 20 0 JJADRM COc1ccccc1/C(C)=C\C(=O)N[C@@H](C)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC001446276427 1066683977 /nfs/dbraw/zinc/68/39/77/1066683977.db2.gz QSUKPUXOJVTCJT-BHWVZIDZSA-N -1 0 456.589 4.838 20 0 JJADRM C[C@H](NC(=O)c1cc(F)c2ncccc2c1)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC001446281633 1066685443 /nfs/dbraw/zinc/68/54/43/1066685443.db2.gz XWJXOIXWSZBDGG-AWEZNQCLSA-N -1 0 455.536 4.727 20 0 JJADRM Cc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nncs3)cc2)c(C)n1C1CCCCC1 ZINC001446289297 1066686185 /nfs/dbraw/zinc/68/61/85/1066686185.db2.gz WETCIHNZJHKCAA-UHFFFAOYSA-N -1 0 459.597 4.515 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(C(C)(C)C)nc2)c1 ZINC001456823632 1066701734 /nfs/dbraw/zinc/70/17/34/1066701734.db2.gz BSUHMOPHCQDBAG-UHFFFAOYSA-N -1 0 453.564 4.749 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2Cc3cccc(Cl)c3C2)c1 ZINC001456834583 1066703420 /nfs/dbraw/zinc/70/34/20/1066703420.db2.gz YTZNWBXKHHPNCY-UHFFFAOYSA-N -1 0 456.951 4.614 20 0 JJADRM O=C(c1cccc(Br)c1[O-])N(Cc1ccccc1)C[C@@]1(O)CCc2ccccc21 ZINC001446542782 1066718992 /nfs/dbraw/zinc/71/89/92/1066718992.db2.gz ZHYNPVMJLZHQSF-DEOSSOPVSA-N -1 0 452.348 4.631 20 0 JJADRM O=C(N[C@@H]1CC12CCCCC2)c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC001446976744 1066760806 /nfs/dbraw/zinc/76/08/06/1066760806.db2.gz AOFWDVJZIYMPNQ-LJQANCHMSA-N -1 0 452.498 4.959 20 0 JJADRM O=C(N[C@H]1CC12CCCCC2)c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC001446976735 1066760904 /nfs/dbraw/zinc/76/09/04/1066760904.db2.gz AOFWDVJZIYMPNQ-IBGZPJMESA-N -1 0 452.498 4.959 20 0 JJADRM Cc1ccc(C)c(N2N=C(C(=O)Nc3cc(Cl)cc(Br)c3[O-])CCC2=O)c1 ZINC001447086992 1066772116 /nfs/dbraw/zinc/77/21/16/1066772116.db2.gz CDSPELSQKNKNCG-UHFFFAOYSA-N -1 0 450.720 4.546 20 0 JJADRM CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c1 ZINC001447111174 1066775010 /nfs/dbraw/zinc/77/50/10/1066775010.db2.gz UQIWOYMJHLIGQJ-UHFFFAOYSA-N -1 0 451.331 4.776 20 0 JJADRM CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3scnc3C3CC3)ccc2OC)cc1 ZINC001447289058 1066788128 /nfs/dbraw/zinc/78/81/28/1066788128.db2.gz VLYZHZRDMWXRLF-UHFFFAOYSA-N -1 0 457.577 4.645 20 0 JJADRM COc1ccc(-n2cc([O-])c(C(=O)Nc3cccc(OCc4ccccc4OC)c3C)n2)cc1 ZINC001447304611 1066789391 /nfs/dbraw/zinc/78/93/91/1066789391.db2.gz MFNYTUOPYJIYGG-UHFFFAOYSA-N -1 0 459.502 4.735 20 0 JJADRM O=C(c1s[n-]c(=O)c1Cl)N(Cc1ccccc1)C[C@H](O)c1ccccc1C(F)(F)F ZINC001447570588 1066823781 /nfs/dbraw/zinc/82/37/81/1066823781.db2.gz FFYNLKXPSCOJQI-HNNXBMFYSA-N -1 0 456.873 4.897 20 0 JJADRM CCOc1ccc(C[C@H](C)C(=O)Nc2ncc(C([O-])(C(F)(F)F)C(F)(F)F)s2)cc1 ZINC001457524281 1066851417 /nfs/dbraw/zinc/85/14/17/1066851417.db2.gz FXGNYYRIKYYUGC-JTQLQIEISA-N -1 0 456.408 4.671 20 0 JJADRM C[C@H](C(=O)Nc1ncc(C([O-])(C(F)(F)F)C(F)(F)F)s1)c1cn(C)c2ccccc12 ZINC001457527631 1066852269 /nfs/dbraw/zinc/85/22/69/1066852269.db2.gz UYWQGTFPIMKLLU-VIFPVBQESA-N -1 0 451.392 4.689 20 0 JJADRM COc1ccc(C(=O)C2CCN(C(=O)c3cc(Cl)cc(Br)c3[O-])CC2)cc1 ZINC001457537961 1066854376 /nfs/dbraw/zinc/85/43/76/1066854376.db2.gz UUCWMKDBDFBECT-UHFFFAOYSA-N -1 0 452.732 4.552 20 0 JJADRM Cc1cc(C(C)(C)C)cc(S(=O)(=O)[N-]c2ccccc2C(=O)NC[C@@H]2CCC=CO2)c1C ZINC001447761987 1066855020 /nfs/dbraw/zinc/85/50/20/1066855020.db2.gz JQVKIZDLNIBYGZ-FQEVSTJZSA-N -1 0 456.608 4.824 20 0 JJADRM CN(C(=O)c1ccc(I)cc1[O-])c1ccc(OCc2ccccc2)cc1 ZINC001447794184 1066859666 /nfs/dbraw/zinc/85/96/66/1066859666.db2.gz YPWGKCOTGYQUDH-UHFFFAOYSA-N -1 0 459.283 4.852 20 0 JJADRM O=C([N-]OCc1ccc(F)cc1Br)c1cc2ccc(C(F)(F)F)cc2[nH]c1=O ZINC001447806448 1066862967 /nfs/dbraw/zinc/86/29/67/1066862967.db2.gz WRPGGVTWUPYARC-UHFFFAOYSA-N -1 0 459.193 4.722 20 0 JJADRM CCN1CCc2ccc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc(F)cc3C)cc21 ZINC001457597263 1066875276 /nfs/dbraw/zinc/87/52/76/1066875276.db2.gz NHILDOSDHAGDEP-UHFFFAOYSA-N -1 0 453.539 4.570 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCCC[C@H]2C)ccc1Cl ZINC001457603666 1066875855 /nfs/dbraw/zinc/87/58/55/1066875855.db2.gz SIXYPBVHOIPYSP-WBVHZDCISA-N -1 0 450.988 4.706 20 0 JJADRM O=C(Nc1cc(-c2ccccc2Br)no1)c1cc(Br)cc(F)c1[O-] ZINC001457633156 1066887405 /nfs/dbraw/zinc/88/74/05/1066887405.db2.gz QCGWXFLQEMDJGG-UHFFFAOYSA-N -1 0 456.065 4.964 20 0 JJADRM CC(C)n1cc2ccc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc(F)cc3)cc2n1 ZINC001457659285 1066891578 /nfs/dbraw/zinc/89/15/78/1066891578.db2.gz MQGLIPCFIJQDID-UHFFFAOYSA-N -1 0 452.511 4.809 20 0 JJADRM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CC[C@@](C)(CC)C3)ccc2Cl)cc1 ZINC001457704679 1066900386 /nfs/dbraw/zinc/90/03/86/1066900386.db2.gz ANNSQFLTLXJEAX-JOCHJYFZSA-N -1 0 450.988 4.802 20 0 JJADRM O=C(CCCC(=O)c1ccc2c(c1)OCCO2)Nc1cc(Br)cc(Cl)c1[O-] ZINC001457736232 1066907364 /nfs/dbraw/zinc/90/73/64/1066907364.db2.gz SGTFGJQKQDRGKG-UHFFFAOYSA-N -1 0 454.704 4.571 20 0 JJADRM O=C(NCc1ccc(I)cc1Cl)c1c([O-])cc(Cl)cc1Cl ZINC001457770693 1066915300 /nfs/dbraw/zinc/91/53/00/1066915300.db2.gz PMFOVWJJJBLETG-UHFFFAOYSA-N -1 0 456.494 4.887 20 0 JJADRM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1ccc(-c2ccccc2)nc1C ZINC001457785131 1066919418 /nfs/dbraw/zinc/91/94/18/1066919418.db2.gz IACBLPPOBLLXDQ-DEOSSOPVSA-N -1 0 454.574 4.910 20 0 JJADRM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1cc(C)cc(Br)c1 ZINC001457791128 1066921666 /nfs/dbraw/zinc/92/16/66/1066921666.db2.gz SWONEPWRZPOMAK-HXUWFJFHSA-N -1 0 456.384 4.610 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)c(C)c2)ccc1C ZINC001457827133 1066929272 /nfs/dbraw/zinc/92/92/72/1066929272.db2.gz VWQQBBGWNLUKLX-QGZVFWFLSA-N -1 0 456.539 4.743 20 0 JJADRM C[C@@H](NC(=O)c1cc(Br)cc(Cl)c1[O-])c1ccc(N2CCCOC2=O)cc1 ZINC001457840981 1066931392 /nfs/dbraw/zinc/93/13/92/1066931392.db2.gz RVGHULBBYUNIMS-LLVKDONJSA-N -1 0 453.720 4.646 20 0 JJADRM O=C(c1ccc2c(=O)[nH]c(=S)[n-]c2c1)N1CCCC[C@H]1Cc1ccccc1Br ZINC001457842538 1066931454 /nfs/dbraw/zinc/93/14/54/1066931454.db2.gz XQUORZIINGLZOZ-HNNXBMFYSA-N -1 0 458.381 4.624 20 0 JJADRM CN(C[C@](C)(O)c1ccccc1)C(=O)c1nn(-c2c(Cl)cc(Cl)cc2Cl)cc1[O-] ZINC001457880522 1066935041 /nfs/dbraw/zinc/93/50/41/1066935041.db2.gz ZITPBYHRANOVEI-FQEVSTJZSA-N -1 0 454.741 4.518 20 0 JJADRM COc1cccc2c1[C@H](C(=O)Nc1cc(S(=O)(=O)[N-]c3ccccc3)c(F)cc1C)CC2 ZINC001448623430 1066944916 /nfs/dbraw/zinc/94/49/16/1066944916.db2.gz RGXAEVLFQJRFHC-GOSISDBHSA-N -1 0 454.523 4.612 20 0 JJADRM O=C(c1cc(Cl)cc(Br)c1[O-])N1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC001457955139 1066948022 /nfs/dbraw/zinc/94/80/22/1066948022.db2.gz CBJWMGAFNSPVOT-HNNXBMFYSA-N -1 0 451.748 4.764 20 0 JJADRM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCC(C)(C)C3CC3)ccc2Cl)cc1 ZINC001458029545 1066958456 /nfs/dbraw/zinc/95/84/56/1066958456.db2.gz WJOXGFBFPPMWMA-UHFFFAOYSA-N -1 0 450.988 4.706 20 0 JJADRM O=C(c1ccc(S(=O)(=O)[N-]c2nccs2)cc1)N1CC=C(c2cccc(Cl)c2)CC1 ZINC001448815277 1066959472 /nfs/dbraw/zinc/95/94/72/1066959472.db2.gz KQMQKWMOZNTLAU-UHFFFAOYSA-N -1 0 459.980 4.527 20 0 JJADRM COc1ccc(-n2cc([O-])c(C(=O)NC3(c4cc(C(F)(F)F)ccc4Cl)CC3)n2)cc1 ZINC001449026868 1066977855 /nfs/dbraw/zinc/97/78/55/1066977855.db2.gz LNGFUPIJGJXKTC-UHFFFAOYSA-N -1 0 451.832 4.678 20 0 JJADRM COc1cccc(S([O-])=CC(=O)N[C@H](c2c[nH]c3ccccc32)C(Cl)(Cl)Cl)c1 ZINC001449305938 1066997004 /nfs/dbraw/zinc/99/70/04/1066997004.db2.gz ATHALAVKBJGAPM-KWMCUTETSA-N -1 0 459.782 4.512 20 0 JJADRM CS(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)N1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC001449601309 1067017431 /nfs/dbraw/zinc/01/74/31/1067017431.db2.gz HTDXQROFQNOUJK-UHFFFAOYSA-N -1 0 458.530 4.584 20 0 JJADRM CC[C@@H](C)[C@H](CNC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1)OC ZINC001449917186 1067037175 /nfs/dbraw/zinc/03/71/75/1067037175.db2.gz ONOYJVFRFUUAMZ-ACJLOTCBSA-N -1 0 459.395 4.585 20 0 JJADRM CCOc1ccc(Cl)c(NC(=O)Cc2ccc([N-]S(=O)(=O)c3cccs3)cc2)c1 ZINC001449930214 1067037932 /nfs/dbraw/zinc/03/79/32/1067037932.db2.gz IIZUTZDDTXGCKL-UHFFFAOYSA-N -1 0 450.969 4.782 20 0 JJADRM O=C(N[C@@H](c1ccccc1)C(F)F)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC001450021568 1067041846 /nfs/dbraw/zinc/04/18/46/1067041846.db2.gz KDAAGQGXNYHGNB-KRWDZBQOSA-N -1 0 456.923 4.939 20 0 JJADRM CC[C@H](C)Oc1cc(C)ccc1CNC(=O)c1ccc([N-]S(=O)(=O)C(F)(F)F)c(C)c1 ZINC001545769024 1067054935 /nfs/dbraw/zinc/05/49/35/1067054935.db2.gz NTABDPQJQZGOER-HNNXBMFYSA-N -1 0 458.502 4.672 20 0 JJADRM Cc1ccc(C2(CNC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc(F)cc3)CC2)c(C)c1 ZINC001450289304 1067069727 /nfs/dbraw/zinc/06/97/27/1067069727.db2.gz AJTMICTZLOBJKK-UHFFFAOYSA-N -1 0 452.551 4.705 20 0 JJADRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)N2CC(C)(C)[C@H]2C(C)C)c1 ZINC001450465140 1067082873 /nfs/dbraw/zinc/08/28/73/1067082873.db2.gz FCWOPIVKWMSTOQ-HXUWFJFHSA-N -1 0 450.988 4.656 20 0 JJADRM Cc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)N[C@@H](C)CCOCc2ccccc2)cc1 ZINC001450803416 1067123245 /nfs/dbraw/zinc/12/32/45/1067123245.db2.gz XHOCVPAIIJBIIB-SFHVURJKSA-N -1 0 458.605 4.583 20 0 JJADRM COc1cccc(S([O-])=CC(=O)NC[C@H](OCc2ccccc2)c2ccc(Cl)cc2)c1 ZINC001450840180 1067130272 /nfs/dbraw/zinc/13/02/72/1067130272.db2.gz YCMGWXPLWLVFFQ-FWUCURJTSA-N -1 0 457.979 4.531 20 0 JJADRM C[C@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1F)c1ccc(Cl)cc1 ZINC001451011478 1067139261 /nfs/dbraw/zinc/13/92/61/1067139261.db2.gz TZJPJUNENBHXJZ-ZDUSSCGKSA-N -1 0 450.894 4.910 20 0 JJADRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC001545824456 1067168726 /nfs/dbraw/zinc/16/87/26/1067168726.db2.gz YUXOXBIJQTXJFR-OAHLLOKOSA-N -1 0 458.139 4.705 20 0 JJADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2cc([C@H]3C[C@@H]3C)[nH]n2)c1C ZINC001452309211 1067219248 /nfs/dbraw/zinc/21/92/48/1067219248.db2.gz BEUVJAPEKMKIKG-KXBFYZLASA-N -1 0 452.580 4.820 20 0 JJADRM COc1ccc2c(c1)CN(C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3C)c1)C2 ZINC001452384521 1067220908 /nfs/dbraw/zinc/22/09/08/1067220908.db2.gz RWCUACXHJWOEQO-UHFFFAOYSA-N -1 0 456.951 4.614 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]23)c1 ZINC001546105716 1067233355 /nfs/dbraw/zinc/23/33/55/1067233355.db2.gz TVIQDKOMTTUMSF-QXAKKESOSA-N -1 0 458.580 4.747 20 0 JJADRM CC(C)(C)OC(=O)[C@@H]1C[C@H](NC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])c2ccccc21 ZINC001452746719 1067248038 /nfs/dbraw/zinc/24/80/38/1067248038.db2.gz SKBGQVBAFDPOMP-MOPGFXCFSA-N -1 0 453.926 4.531 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(C(F)F)ccc2F)cc1 ZINC001452872761 1067259041 /nfs/dbraw/zinc/25/90/41/1067259041.db2.gz YUKFFGMWYXTPIR-UHFFFAOYSA-N -1 0 450.438 4.825 20 0 JJADRM CC(C)(C)C[C@@H]1C[C@H]1NC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccccc1Cl)c2=O ZINC001452911913 1067263927 /nfs/dbraw/zinc/26/39/27/1067263927.db2.gz CDTILCMFRJYREK-QFBILLFUSA-N -1 0 456.011 4.941 20 0 JJADRM O=C(c1ccc([N-]S(=O)(=O)c2cccs2)cc1)N1CCCC[C@@H]1Cc1ccccc1F ZINC001452940710 1067266007 /nfs/dbraw/zinc/26/60/07/1067266007.db2.gz IOFSDSQWJTUYLQ-HXUWFJFHSA-N -1 0 458.580 4.925 20 0 JJADRM Cc1cc(C(=O)NCc2ccc(-c3cccs3)cc2)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC001453000810 1067273732 /nfs/dbraw/zinc/27/37/32/1067273732.db2.gz XOHYHJFKTHTSIY-UHFFFAOYSA-N -1 0 454.495 4.915 20 0 JJADRM O=C([N-][C@H]1CN(C(=O)c2ccc(SC3CC3)cc2)CC[C@H]1c1ccc(F)cc1)C(F)(F)F ZINC001453125028 1067280876 /nfs/dbraw/zinc/28/08/76/1067280876.db2.gz IYFBOFIARZRMME-PMACEKPBSA-N -1 0 466.500 4.757 20 0 JJADRM Cc1cc(C)c(/C=C/C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@@H]([N-]C(=O)C(F)(F)F)C2)cc1C ZINC001453125671 1067281364 /nfs/dbraw/zinc/28/13/64/1067281364.db2.gz KCKMXIPGUXYJGY-HMUBQBSKSA-N -1 0 462.487 4.827 20 0 JJADRM CC(C)c1ccc(-c2nc(C(=O)[N-]N3Cc4ccc(Br)cc4C3=O)cs2)cc1 ZINC001453623029 1067319467 /nfs/dbraw/zinc/31/94/67/1067319467.db2.gz WTLSVTVRPRAPSW-UHFFFAOYSA-N -1 0 456.365 4.997 20 0 JJADRM Cc1ccccc1CC1CN(C(=O)c2ccc(Cl)cc2[N-]S(=O)(=O)c2ccccc2)C1 ZINC001453864917 1067332847 /nfs/dbraw/zinc/33/28/47/1067332847.db2.gz RJTKVMSHWSCWKD-UHFFFAOYSA-N -1 0 454.979 4.764 20 0 JJADRM CC1(C)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1[O-] ZINC001453877185 1067333638 /nfs/dbraw/zinc/33/36/38/1067333638.db2.gz HOPONCBSMWPLCB-VXKWHMMOSA-N -1 0 470.978 4.768 20 0 JJADRM O=C([N-][C@H]1CN(C(=O)c2cc3c(cccc3F)s2)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC001461418365 1067851591 /nfs/dbraw/zinc/85/15/91/1067851591.db2.gz KJFGOTHJXYIHEQ-YOEHRIQHSA-N -1 0 468.447 4.856 20 0 JJADRM O=C([N-][C@H]1CN(C(=O)c2ccccc2-c2ccncc2)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC001461421858 1067852704 /nfs/dbraw/zinc/85/27/04/1067852704.db2.gz WKXBRZQDDCLHNX-UNMCSNQZSA-N -1 0 471.454 4.565 20 0 JJADRM CSc1ccc(/C=C/C(=O)N2CC[C@@H](c3cccc(F)c3)[C@@H]([N-]C(=O)C(F)(F)F)C2)s1 ZINC001461421329 1067852797 /nfs/dbraw/zinc/85/27/97/1067852797.db2.gz VWKKMHRSQKGNLU-DGDBIBOCSA-N -1 0 472.529 4.686 20 0 JJADRM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NCc2cc(Cl)ccc2OC[C@@H]2CCCO2)c1 ZINC001461505199 1067878078 /nfs/dbraw/zinc/87/80/78/1067878078.db2.gz MYEPRYVLFWVTAJ-IBGZPJMESA-N -1 0 456.892 4.997 20 0 JJADRM O=C(CCCCc1ccc(Cl)cc1)N1C[C@@H]([N-]C(=O)C(F)(F)F)CC[C@H]1C(F)(F)F ZINC001461578295 1067892689 /nfs/dbraw/zinc/89/26/89/1067892689.db2.gz URXGWPGVDYJTOT-GJZGRUSLSA-N -1 0 458.830 4.653 20 0 JJADRM Cc1ccccc1-c1nc(CNCc2cc(Br)c([O-])c(Br)c2)no1 ZINC001462128123 1068011514 /nfs/dbraw/zinc/01/15/14/1068011514.db2.gz PCFHXAXVNMDHTH-UHFFFAOYSA-N -1 0 453.134 4.565 20 0 JJADRM O=C([N-]Cc1cc(F)c(Br)cc1F)C(F)(F)c1cccc(Br)c1 ZINC001462185654 1068024653 /nfs/dbraw/zinc/02/46/53/1068024653.db2.gz MOEIUAFKKNYQTQ-UHFFFAOYSA-N -1 0 455.043 4.898 20 0 JJADRM O=S(=O)([N-][C@H]1C[C@H]1c1ccccc1C(F)(F)F)c1c(F)cc(Br)cc1F ZINC001462972790 1068233930 /nfs/dbraw/zinc/23/39/30/1068233930.db2.gz TYDCVHASUWRRTM-HZMBPMFUSA-N -1 0 456.230 4.581 20 0 JJADRM Cc1ccc(NC(=O)C2(C[N-]S(=O)(=O)c3c(Cl)ccc(F)c3F)CCCC2)cc1C ZINC001463198209 1068317629 /nfs/dbraw/zinc/31/76/29/1068317629.db2.gz CYHIAJHAXJPELX-UHFFFAOYSA-N -1 0 456.942 4.712 20 0 JJADRM COc1ccc([C@@H]([N-]S(=O)(=O)c2cccnc2Oc2ccc(F)cc2)C(F)(F)F)cc1 ZINC001463381735 1068378489 /nfs/dbraw/zinc/37/84/89/1068378489.db2.gz FTSBYCXRMQGNKE-GOSISDBHSA-N -1 0 456.417 4.604 20 0 JJADRM O=C(N[C@H]1CC[C@@H](CS(=O)(=O)[N-][C@H](C2CCCCC2)C(F)(F)F)C1)OCc1ccccc1 ZINC001463492585 1068418538 /nfs/dbraw/zinc/41/85/38/1068418538.db2.gz RUEUYAJIFPZKRM-YZGWKJHDSA-N -1 0 476.561 4.512 20 0 JJADRM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](c1cccc2ccccc21)C(F)(F)F ZINC001463495538 1068419214 /nfs/dbraw/zinc/41/92/14/1068419214.db2.gz DHDAEFOMGKFQSH-SFHVURJKSA-N -1 0 457.857 4.862 20 0 JJADRM CC1(C)CO[C@H](CC(=O)Nc2ccc([N-]S(=O)(=O)c3c(Cl)cccc3Cl)cc2)C1 ZINC001463558623 1068441922 /nfs/dbraw/zinc/44/19/22/1068441922.db2.gz BDQPPLMNJBQJGM-OAHLLOKOSA-N -1 0 457.379 4.938 20 0 JJADRM CC(C)n1cc(C(=O)Nc2ccc([N-]S(=O)(=O)c3c(Cl)cccc3Cl)cc2)cn1 ZINC001463559260 1068442598 /nfs/dbraw/zinc/44/25/98/1068442598.db2.gz DPGBLVRSXGSPEB-UHFFFAOYSA-N -1 0 453.351 4.824 20 0 JJADRM O=C(c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1)N1CC[C@H]2CCCC[C@H]2C1 ZINC001463590931 1068458956 /nfs/dbraw/zinc/45/89/56/1068458956.db2.gz ANRBLFSNKGWTJT-WBVHZDCISA-N -1 0 450.963 4.932 20 0 JJADRM CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(Cl)cc3)ccc2OC)cc1 ZINC001463639339 1068478393 /nfs/dbraw/zinc/47/83/93/1068478393.db2.gz CDNXYNGTJDSBHV-UHFFFAOYSA-N -1 0 458.967 4.642 20 0 JJADRM CCOc1cccc2cc([C@H](C)NC(=O)c3cccc([N-]S(=O)(=O)C(F)(F)F)c3)oc21 ZINC001463737819 1068508236 /nfs/dbraw/zinc/50/82/36/1068508236.db2.gz OEUFVRZKEWODOS-LBPRGKRZSA-N -1 0 456.442 4.584 20 0 JJADRM COc1ccccc1NS(=O)(=O)c1ccc([O-])c(C(=O)Nc2ccc3sccc3c2)c1 ZINC001463835767 1068541941 /nfs/dbraw/zinc/54/19/41/1068541941.db2.gz KMQRGFKMZXHLNJ-UHFFFAOYSA-N -1 0 454.529 4.669 20 0 JJADRM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H](C)Cc3ccccc3)ccc2Cl)cc1 ZINC001463842735 1068545389 /nfs/dbraw/zinc/54/53/89/1068545389.db2.gz GWHAVHYMEMMDBU-INIZCTEOSA-N -1 0 458.967 4.967 20 0 JJADRM CCOc1ccc(CCC2CCN(C(=O)c3nn(-c4ccc(F)cc4C)cc3[O-])CC2)cc1 ZINC001463860760 1068549595 /nfs/dbraw/zinc/54/95/95/1068549595.db2.gz WGIXPCNCLWMWNP-UHFFFAOYSA-N -1 0 451.542 4.909 20 0 JJADRM CCN(Cc1ccc(C)cc1)C(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC001464060798 1068603025 /nfs/dbraw/zinc/60/30/25/1068603025.db2.gz AALYVHSZQGSLGM-UHFFFAOYSA-N -1 0 458.967 4.817 20 0 JJADRM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(OC(F)F)c1 ZINC001464212569 1068659865 /nfs/dbraw/zinc/65/98/65/1068659865.db2.gz JERGJEXPYLZQHJ-UHFFFAOYSA-N -1 0 450.438 4.789 20 0 JJADRM COc1ccc(F)cc1[C@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC001464260022 1068679279 /nfs/dbraw/zinc/67/92/79/1068679279.db2.gz TYMHZWIJPFZERW-KRWDZBQOSA-N -1 0 456.539 4.743 20 0 JJADRM O=C(NCc1ccccc1OC1CCCC1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC001464312418 1068701247 /nfs/dbraw/zinc/70/12/47/1068701247.db2.gz UUACNIHKQXSQFP-UHFFFAOYSA-N -1 0 456.589 4.800 20 0 JJADRM CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1)c1cc(C)cc(C)c1 ZINC001464369321 1068721029 /nfs/dbraw/zinc/72/10/29/1068721029.db2.gz CYOKHSWWIRRBMR-UHFFFAOYSA-N -1 0 456.539 4.919 20 0 JJADRM CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1cc(Br)cc(F)c1[O-] ZINC001464369099 1068721129 /nfs/dbraw/zinc/72/11/29/1068721129.db2.gz BYCMHYSTHCABRK-UHFFFAOYSA-N -1 0 450.283 4.528 20 0 JJADRM Cc1ccc(-c2csc(NC(=O)c3ccc(I)cc3[O-])n2)cc1C ZINC001464383454 1068726192 /nfs/dbraw/zinc/72/61/92/1068726192.db2.gz RIPOIANZHAKWBG-UHFFFAOYSA-N -1 0 450.301 4.989 20 0 JJADRM CN(C(=O)c1ccc(NC(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])cc1)C1CCCCC1 ZINC001464417118 1068738759 /nfs/dbraw/zinc/73/87/59/1068738759.db2.gz VJBKIDLVRWTGRI-UHFFFAOYSA-N -1 0 454.477 4.513 20 0 JJADRM CC(C)(C)OC(=O)c1cc(C(=O)Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)n[n-]1 ZINC001464433598 1068744042 /nfs/dbraw/zinc/74/40/42/1068744042.db2.gz SESRZWHYURTJSZ-UHFFFAOYSA-N -1 0 455.902 4.915 20 0 JJADRM Cc1ccc(CN(Cc2ccco2)C(=O)c2cccc(I)c2[O-])s1 ZINC001464512157 1068769312 /nfs/dbraw/zinc/76/93/12/1068769312.db2.gz JVQARFZPFCENAH-UHFFFAOYSA-N -1 0 453.301 4.802 20 0 JJADRM Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC001464537430 1068775576 /nfs/dbraw/zinc/77/55/76/1068775576.db2.gz FQDIBEXYUGUZEW-HNNXBMFYSA-N -1 0 452.942 4.664 20 0 JJADRM COc1ccccc1C[C@@H](C)N(Cc1ccccc1)C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC001464566524 1068784140 /nfs/dbraw/zinc/78/41/40/1068784140.db2.gz UMKCRSISROXTLR-LJQANCHMSA-N -1 0 459.521 4.999 20 0 JJADRM C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)CCn3c(=O)c4ccccc4[n-]c3=S)c2)C1 ZINC001464571667 1068786313 /nfs/dbraw/zinc/78/63/13/1068786313.db2.gz BQECBZNVHPQSCH-FXAWDEMLSA-N -1 0 451.592 4.809 20 0 JJADRM Cc1cccc(C(C)(C)CNC(=O)c2ccccc2[N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC001464573983 1068787852 /nfs/dbraw/zinc/78/78/52/1068787852.db2.gz ISIAWIIZXHCEPE-UHFFFAOYSA-N -1 0 458.530 4.782 20 0 JJADRM COc1ccccc1C(C)(C)CNC(=O)c1cc(Br)cc(Br)c1[O-] ZINC001464600816 1068795972 /nfs/dbraw/zinc/79/59/72/1068795972.db2.gz VNKBQJJNCHMORD-UHFFFAOYSA-N -1 0 457.162 4.633 20 0 JJADRM O=C(Nc1nccn1Cc1ccccc1)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC001464612806 1068799226 /nfs/dbraw/zinc/79/92/26/1068799226.db2.gz RTGDMIMIQZVDIU-UHFFFAOYSA-N -1 0 452.923 4.857 20 0 JJADRM C[C@H](NC(=O)c1cc(CCc2ccccc2)ccc1O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001464675364 1068820787 /nfs/dbraw/zinc/82/07/87/1068820787.db2.gz GMQWEPMCLSPRMU-UGKGYDQZSA-N -1 0 452.595 4.943 20 0 JJADRM O=S(=O)([N-]c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1cccc2cccnc21 ZINC000014225506 555734712 /nfs/dbraw/zinc/73/47/12/555734712.db2.gz FZFRVWTVYNGBHI-UHFFFAOYSA-N -1 0 480.386 4.918 20 0 JJADRM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC001435648860 1064906125 /nfs/dbraw/zinc/90/61/25/1064906125.db2.gz FEQWCWLMBPSGSQ-HSZRJFAPSA-N -1 0 455.345 4.807 20 0 JJADRM C[C@@H](CSc1ccccc1)C(=O)N1CC[C@@H](c2cccc(F)c2)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001437472602 1065558138 /nfs/dbraw/zinc/55/81/38/1065558138.db2.gz DOVVVAGKIGRYQH-YSSFQJQWSA-N -1 0 468.516 4.617 20 0 JJADRM CC(C)Cc1cccc([C@@H](C)C(=O)N2C[C@@H]([N-]C(=O)C(F)(F)F)CC[C@H]2C(F)(F)F)c1 ZINC001437701783 1065593247 /nfs/dbraw/zinc/59/32/47/1065593247.db2.gz GNCCWNBGYNLWDA-COXVUDFISA-N -1 0 452.439 4.589 20 0 JJADRM O=C([N-][C@H]1CC[C@@H](C(F)(F)F)N(C(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)C1)C(F)(F)F ZINC001437706720 1065593996 /nfs/dbraw/zinc/59/39/96/1065593996.db2.gz UHBPBHOSKCAEIX-FJIDUMEYSA-N -1 0 458.402 4.544 20 0 JJADRM O=C([N-][C@H]1CC[C@@H](C(F)(F)F)N(C(=O)[C@H]2C[C@H]2c2cccc3ccccc32)C1)C(F)(F)F ZINC001437707590 1065594576 /nfs/dbraw/zinc/59/45/76/1065594576.db2.gz YBKIREFDMXRCRP-MGHWNKPDSA-N -1 0 458.402 4.544 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)CCCc2nc(C)cs2)ccc1C ZINC001440486105 1065943627 /nfs/dbraw/zinc/94/36/27/1065943627.db2.gz SBQGGFHXBVBCQC-UHFFFAOYSA-N -1 0 459.593 4.531 20 0 JJADRM C[C@@H](CCc1ccccc1)NC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1[O-] ZINC001440496945 1065944615 /nfs/dbraw/zinc/94/46/15/1065944615.db2.gz SWLCLRDEFSYPRS-INIZCTEOSA-N -1 0 458.967 4.598 20 0 JJADRM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H]3C[C@]3(C)c3ccccc3)ccc2OC)cc1 ZINC001440594857 1065953065 /nfs/dbraw/zinc/95/30/65/1065953065.db2.gz JFRKTPPEFGVDER-BKMJKUGQSA-N -1 0 480.586 4.811 20 0 JJADRM Cc1ccc(CCCNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)c(C)c2)c(C)c1 ZINC001440654293 1065958999 /nfs/dbraw/zinc/95/89/99/1065958999.db2.gz RKDKSJGGZCGGSR-UHFFFAOYSA-N -1 0 454.567 4.914 20 0 JJADRM O=C(c1s[n-]c(=O)c1Cl)N1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC001440652099 1065959127 /nfs/dbraw/zinc/95/91/27/1065959127.db2.gz PNAAYHKRZIGWCX-UHFFFAOYSA-N -1 0 454.404 4.842 20 0 JJADRM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2O)cc1C(F)(F)F ZINC001440735334 1065972764 /nfs/dbraw/zinc/97/27/64/1065972764.db2.gz BKRYFFDFRCOPKM-UHFFFAOYSA-N -1 0 456.467 4.834 20 0 JJADRM CCN(Cc1ccccc1C)C(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC001441122853 1066009263 /nfs/dbraw/zinc/00/92/63/1066009263.db2.gz BIRFRTQJZKBDJT-UHFFFAOYSA-N -1 0 458.967 4.817 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)NC[C@H](c2ccccc2)C(C)C)c1 ZINC001441174140 1066011517 /nfs/dbraw/zinc/01/15/17/1066011517.db2.gz SAEDYTRITMOZIG-QFIPXVFZSA-N -1 0 452.576 4.666 20 0 JJADRM COc1cc(C(=O)Nc2cc(Cl)ccc2[N-]S(=O)(=O)c2ccccc2F)ccc1F ZINC001441185000 1066012556 /nfs/dbraw/zinc/01/25/56/1066012556.db2.gz DMLIHNQMXSLPJK-UHFFFAOYSA-N -1 0 452.866 4.680 20 0 JJADRM CCCc1ncc(C(=O)Nc2cc(Cl)ccc2[N-]S(=O)(=O)c2ccccc2F)s1 ZINC001441188643 1066013452 /nfs/dbraw/zinc/01/34/52/1066013452.db2.gz OUOBRXXEWJKPJJ-UHFFFAOYSA-N -1 0 453.948 4.941 20 0 JJADRM O=C(NCc1cc2ccccc2o1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC001441488055 1066046083 /nfs/dbraw/zinc/04/60/83/1066046083.db2.gz ALWQERPOWQXTJX-UHFFFAOYSA-N -1 0 458.898 4.956 20 0 JJADRM Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cccs2)c1 ZINC001441545664 1066049822 /nfs/dbraw/zinc/04/98/22/1066049822.db2.gz HPUWWEIFMXRZCL-UHFFFAOYSA-N -1 0 457.508 4.904 20 0 JJADRM C[C@H](c1cccs1)N(C)C(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1[O-] ZINC001441641284 1066057145 /nfs/dbraw/zinc/05/71/45/1066057145.db2.gz IPEDPENVIAQHDU-CYBMUJFWSA-N -1 0 450.969 4.741 20 0 JJADRM COc1ccc(-n2cc([O-])c(C(=O)Nc3nc(C)c(Cc4cccc(Cl)c4)s3)n2)cc1 ZINC001441780345 1066069403 /nfs/dbraw/zinc/06/94/03/1066069403.db2.gz DEOIZONEVZHULA-UHFFFAOYSA-N -1 0 454.939 4.848 20 0 JJADRM CC(C)COc1cccc(CNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC001442115723 1066095981 /nfs/dbraw/zinc/09/59/81/1066095981.db2.gz CNVADQKRZZENEX-UHFFFAOYSA-N -1 0 456.539 4.591 20 0 JJADRM Cc1cccc(C)c1OC[C@@H](C)NC(=O)c1cc(Br)c([O-])c(Br)c1 ZINC001442174969 1066098785 /nfs/dbraw/zinc/09/87/85/1066098785.db2.gz RHTGYPVVOZVHSH-GFCCVEGCSA-N -1 0 457.162 4.731 20 0 JJADRM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1O ZINC001442595387 1066142183 /nfs/dbraw/zinc/14/21/83/1066142183.db2.gz QJMQMNGNBJJARA-INIZCTEOSA-N -1 0 458.605 4.741 20 0 JJADRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCC[C@@H]2C)c1 ZINC001442746438 1066156438 /nfs/dbraw/zinc/15/64/38/1066156438.db2.gz JSZRHNYWQWWMDI-DOTOQJQBSA-N -1 0 450.988 4.706 20 0 JJADRM COc1cccc(C2(NC(=O)c3cc(Br)c([O-])c(Br)c3)CCC2)c1 ZINC001453983662 1066229094 /nfs/dbraw/zinc/22/90/94/1066229094.db2.gz XJCUHWVYSDVJRE-UHFFFAOYSA-N -1 0 455.146 4.735 20 0 JJADRM C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1cccc(I)c1[O-] ZINC001442906094 1066238676 /nfs/dbraw/zinc/23/86/76/1066238676.db2.gz IZVNOIHIRGVVIP-SECBINFHSA-N -1 0 450.103 4.665 20 0 JJADRM COc1ccccc1[C@@H]1CCCN1C(=O)c1cc(Br)c([O-])c(Br)c1 ZINC001443097274 1066266815 /nfs/dbraw/zinc/26/68/15/1066266815.db2.gz JMJDPXDENXTXLY-HNNXBMFYSA-N -1 0 455.146 4.903 20 0 JJADRM O=C(NCc1ccc(Cl)c(C(F)(F)F)c1)c1cccc(I)c1[O-] ZINC001454338006 1066272431 /nfs/dbraw/zinc/27/24/31/1066272431.db2.gz PRSBKSWMCLFAOV-UHFFFAOYSA-N -1 0 455.601 4.599 20 0 JJADRM CCC[C@@H](Cc1ccccc1)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OC)cc1 ZINC001443190780 1066277909 /nfs/dbraw/zinc/27/79/09/1066277909.db2.gz SMJQAVYTKRVZHR-FQEVSTJZSA-N -1 0 452.576 4.637 20 0 JJADRM CCC(C)(C)CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC001454616884 1066310358 /nfs/dbraw/zinc/31/03/58/1066310358.db2.gz NBKBZDCNWGRJKM-UHFFFAOYSA-N -1 0 459.431 4.868 20 0 JJADRM CC1(C)CCC[C@](O)(CNC(=O)c2nn(-c3ccc(Cl)cc3C(F)(F)F)cc2[O-])CC1 ZINC001454689755 1066319950 /nfs/dbraw/zinc/31/99/50/1066319950.db2.gz NZTHAHYYFBORSQ-HXUWFJFHSA-N -1 0 459.896 4.701 20 0 JJADRM Cc1ccc(O)cc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC001454710012 1066324264 /nfs/dbraw/zinc/32/42/64/1066324264.db2.gz CKLDDTFEEKEBEB-UHFFFAOYSA-N -1 0 450.438 4.773 20 0 JJADRM C[C@H]1Cc2ccccc2N(C(=O)c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2[O-])C1 ZINC001443549032 1066328079 /nfs/dbraw/zinc/32/80/79/1066328079.db2.gz MYMFIGZTDZTRNY-HNNXBMFYSA-N -1 0 456.951 4.685 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2C[C@H](C)Cc3ccccc32)c1 ZINC001443547010 1066328131 /nfs/dbraw/zinc/32/81/31/1066328131.db2.gz HWDLRRCGXNSVSF-QGZVFWFLSA-N -1 0 450.560 4.643 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccccc2)C2CCC2)cc1 ZINC001443603173 1066335491 /nfs/dbraw/zinc/33/54/91/1066335491.db2.gz WHGNKPGOKIJYIP-DEOSSOPVSA-N -1 0 450.560 4.767 20 0 JJADRM O=C(c1nc[n-]c(=O)c1Br)N1CCC[C@@H]1Cc1cccc(Oc2ccccc2)c1 ZINC001454969693 1066348129 /nfs/dbraw/zinc/34/81/29/1066348129.db2.gz MJAMWVAOOSEBAN-MRXNPFEDSA-N -1 0 454.324 4.584 20 0 JJADRM CC(C)(C)Cc1nc2cc(NC(=O)c3ccc(I)cc3[O-])ccc2o1 ZINC001443771714 1066365921 /nfs/dbraw/zinc/36/59/21/1066365921.db2.gz UDSUYYLFLCOMLT-UHFFFAOYSA-N -1 0 450.276 4.979 20 0 JJADRM O=C(N[C@H]1c2ccccc2CC[C@@H]1F)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC001455165171 1066367236 /nfs/dbraw/zinc/36/72/36/1066367236.db2.gz FWLLRLBDIIWYIS-UNMCSNQZSA-N -1 0 458.942 4.896 20 0 JJADRM CN1CCCc2cc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc(Cl)cc3)ccc21 ZINC001443803379 1066370066 /nfs/dbraw/zinc/37/00/66/1066370066.db2.gz PFBHOCLVPWMSFN-UHFFFAOYSA-N -1 0 455.967 4.776 20 0 JJADRM O=C(NC1(c2nccs2)CCCC1)c1nn(-c2ccc(Cl)cc2C(F)(F)F)cc1[O-] ZINC001444057660 1066397808 /nfs/dbraw/zinc/39/78/08/1066397808.db2.gz DTOJLOSYEVGUSI-UHFFFAOYSA-N -1 0 456.877 4.906 20 0 JJADRM Cc1cccc(O[C@H](C)CNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC001444259732 1066437696 /nfs/dbraw/zinc/43/76/96/1066437696.db2.gz IBQCLPHPNRWVCQ-QGZVFWFLSA-N -1 0 458.967 4.647 20 0 JJADRM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC001455821811 1066438349 /nfs/dbraw/zinc/43/83/49/1066438349.db2.gz PZMNBBFRJONIKF-QZCPTFHJSA-N -1 0 452.498 4.528 20 0 JJADRM CCCC[C@@H](COC)NC(=O)c1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC001444316489 1066447353 /nfs/dbraw/zinc/44/73/53/1066447353.db2.gz CNIGLQDSZGNZAC-KRWDZBQOSA-N -1 0 459.395 4.729 20 0 JJADRM CCCN(C(=O)c1cccc(I)c1[O-])[C@H]1C[C@H](OCC)C12CCCC2 ZINC001444318773 1066447913 /nfs/dbraw/zinc/44/79/13/1066447913.db2.gz DYCCVLMWRTZEBI-IRXDYDNUSA-N -1 0 457.352 4.587 20 0 JJADRM O=C(NCc1c[nH]c(=O)c2ccccc12)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC001455906215 1066448819 /nfs/dbraw/zinc/44/88/19/1066448819.db2.gz NSFXMVJCAUQXEO-UHFFFAOYSA-N -1 0 453.907 4.543 20 0 JJADRM O=C(NCCc1cc2ccccc2o1)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC001444337005 1066451116 /nfs/dbraw/zinc/45/11/16/1066451116.db2.gz VJGNINDYKYQYTF-UHFFFAOYSA-N -1 0 454.935 4.860 20 0 JJADRM Cc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(Cl)c3Cl)cc2)s1 ZINC001455934244 1066454312 /nfs/dbraw/zinc/45/43/12/1066454312.db2.gz PVOLKMMTBHMRRT-UHFFFAOYSA-N -1 0 457.364 4.515 20 0 JJADRM CC[C@H](C)[C@H]1CCCCN1C(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1[O-] ZINC001444497160 1066468111 /nfs/dbraw/zinc/46/81/11/1066468111.db2.gz DPGBGDITYOPUIX-MGPUTAFESA-N -1 0 450.988 4.887 20 0 JJADRM CO[C@H](CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(C)(C)C ZINC001444707949 1066495786 /nfs/dbraw/zinc/49/57/86/1066495786.db2.gz OYRNTVIPGRXEII-GOSISDBHSA-N -1 0 459.395 4.585 20 0 JJADRM CCOCc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2)cc1 ZINC001444805893 1066506017 /nfs/dbraw/zinc/50/60/17/1066506017.db2.gz BANLCULGFFPKFP-UHFFFAOYSA-N -1 0 450.969 4.991 20 0 JJADRM CCS[C@@H]1CC[C@H](N(C)C(=O)c2cc(Cl)ccc2[N-]S(=O)(=O)c2ccccc2)C1 ZINC001444806579 1066506407 /nfs/dbraw/zinc/50/64/07/1066506407.db2.gz HKXHDKXDYSOAKN-DLBZAZTESA-N -1 0 453.029 4.887 20 0 JJADRM CCS[C@H]1CC[C@@H](N(C)C(=O)c2cc(Cl)ccc2[N-]S(=O)(=O)c2ccccc2)C1 ZINC001444806591 1066506654 /nfs/dbraw/zinc/50/66/54/1066506654.db2.gz HKXHDKXDYSOAKN-SJORKVTESA-N -1 0 453.029 4.887 20 0 JJADRM CCS[C@@H]1CC[C@@H](N(C)C(=O)c2cc(Cl)ccc2[N-]S(=O)(=O)c2ccccc2)C1 ZINC001444806583 1066506685 /nfs/dbraw/zinc/50/66/85/1066506685.db2.gz HKXHDKXDYSOAKN-IAGOWNOFSA-N -1 0 453.029 4.887 20 0 JJADRM CCc1cnc(C[N-]C(=O)C(F)(F)c2ccc(OC(F)(F)F)c(Br)c2)s1 ZINC001444998991 1066528486 /nfs/dbraw/zinc/52/84/86/1066528486.db2.gz QIRQMHMKEDOQGI-UHFFFAOYSA-N -1 0 459.234 4.775 20 0 JJADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)NC[C@@H](C)Sc2ccccc2)ccc1F ZINC001445001934 1066528837 /nfs/dbraw/zinc/52/88/37/1066528837.db2.gz YBYGMRIGAQWAAV-QGZVFWFLSA-N -1 0 458.580 4.846 20 0 JJADRM O=C([N-]c1nc(Cc2ccccc2)ns1)c1coc(-c2ccc(Br)cc2F)n1 ZINC001456177857 1066529909 /nfs/dbraw/zinc/52/99/09/1066529909.db2.gz HDUHHEPHAUHEHM-UHFFFAOYSA-N -1 0 459.300 4.938 20 0 JJADRM Cc1ccc(-n2[n-]c(C(=O)Nc3cc(Br)cc(C(F)(F)F)c3C)cc2=O)cc1 ZINC001456179592 1066531003 /nfs/dbraw/zinc/53/10/03/1066531003.db2.gz OABKCDXZZYRSIJ-UHFFFAOYSA-N -1 0 454.246 4.816 20 0 JJADRM Cc1cc(O[C@H](C)C(=O)Nc2cccc(S(=O)(=O)[N-]c3nccs3)c2)ccc1C(C)C ZINC001445077496 1066536255 /nfs/dbraw/zinc/53/62/55/1066536255.db2.gz DZWYBZFFDMVWTB-MRXNPFEDSA-N -1 0 459.593 4.782 20 0 JJADRM CS[C@H]1CC[C@@H](NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC001445076280 1066536342 /nfs/dbraw/zinc/53/63/42/1066536342.db2.gz CEYQAOZNRWRSPO-OLZOCXBDSA-N -1 0 459.420 4.808 20 0 JJADRM Cc1ccccc1-c1cnc(NC(=O)c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)s1 ZINC001445076689 1066536446 /nfs/dbraw/zinc/53/64/46/1066536446.db2.gz UCELBLJGARSKFM-UHFFFAOYSA-N -1 0 456.574 4.628 20 0 JJADRM C[C@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1)c1ccc(F)cc1F ZINC001445373716 1066563902 /nfs/dbraw/zinc/56/39/02/1066563902.db2.gz VQSZSMCWYJXURD-LBPRGKRZSA-N -1 0 452.429 4.535 20 0 JJADRM CN(C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC001445386575 1066565471 /nfs/dbraw/zinc/56/54/71/1066565471.db2.gz BCERROKIZIFEEV-NRFANRHFSA-N -1 0 454.317 4.536 20 0 JJADRM O=C(Nc1ccccc1Oc1ccccn1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC001456615983 1066645071 /nfs/dbraw/zinc/64/50/71/1066645071.db2.gz YWBFUMKQWPMPDS-UHFFFAOYSA-N -1 0 451.529 4.989 20 0 JJADRM Cc1nc2ccc(C(=O)N[C@H](C)c3ccccc3[N-]S(=O)(=O)c3cccs3)cc2s1 ZINC001446270057 1066681764 /nfs/dbraw/zinc/68/17/64/1066681764.db2.gz ARVVAXDXKVJNJV-CYBMUJFWSA-N -1 0 457.602 4.958 20 0 JJADRM C[C@@H](CO[N-]C(=O)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1)NC(=O)OC(C)(C)C ZINC001446284125 1066685954 /nfs/dbraw/zinc/68/59/54/1066685954.db2.gz UXVAWEONDIQEAQ-IFXJQAMLSA-N -1 0 452.523 4.759 20 0 JJADRM C[C@H](CO[N-]C(=O)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1)NC(=O)OC(C)(C)C ZINC001446284131 1066686098 /nfs/dbraw/zinc/68/60/98/1066686098.db2.gz UXVAWEONDIQEAQ-KUHUBIRLSA-N -1 0 452.523 4.759 20 0 JJADRM O=C(NCC1(Cc2ccccc2)CC1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC001446417319 1066703048 /nfs/dbraw/zinc/70/30/48/1066703048.db2.gz AKJDEPWEFXWENR-UHFFFAOYSA-N -1 0 456.514 4.518 20 0 JJADRM O=C(NCCCOc1cccc(F)c1)c1nn(-c2ccc(Cl)cc2C(F)(F)F)cc1[O-] ZINC001456901385 1066717967 /nfs/dbraw/zinc/71/79/67/1066717967.db2.gz SZGMQDWVEHJIPY-UHFFFAOYSA-N -1 0 457.811 4.588 20 0 JJADRM O=C(Nc1ccc2[nH]c(=S)[nH]c2c1)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1 ZINC001446664111 1066730339 /nfs/dbraw/zinc/73/03/39/1066730339.db2.gz FRPKJGWNTJVWGF-UHFFFAOYSA-N -1 0 458.952 4.558 20 0 JJADRM CC(=O)c1ccc(C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2[O-])cc1C ZINC001446718598 1066734157 /nfs/dbraw/zinc/73/41/57/1066734157.db2.gz ZZBQPMDIODRJGJ-UHFFFAOYSA-N -1 0 458.923 4.610 20 0 JJADRM O=C(c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1)N1CC=C(c2ccccc2)C1 ZINC001446738753 1066735332 /nfs/dbraw/zinc/73/53/32/1066735332.db2.gz HQNPCUFVRABANZ-UHFFFAOYSA-N -1 0 456.926 4.819 20 0 JJADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CC=C(c3ccccc3C)C2)ccc1F ZINC001446758116 1066736480 /nfs/dbraw/zinc/73/64/80/1066736480.db2.gz ALJSTTRONSQGPU-UHFFFAOYSA-N -1 0 450.535 4.783 20 0 JJADRM CCCc1cc(NC(=O)c2cc3ccccc3cc2[N-]S(=O)(=O)c2cccs2)n(C)n1 ZINC001446801374 1066741705 /nfs/dbraw/zinc/74/17/05/1066741705.db2.gz HRYWMQGZMQCGQD-UHFFFAOYSA-N -1 0 454.577 4.640 20 0 JJADRM O=C(NC[C@@H]1CCc2ccccc2C1)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC001446964155 1066759244 /nfs/dbraw/zinc/75/92/44/1066759244.db2.gz OFPWDPBSCXVXSB-QGZVFWFLSA-N -1 0 454.979 4.676 20 0 JJADRM CCC[C@@](C)(NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2OC)c1)c1ccccc1 ZINC001457134708 1066769707 /nfs/dbraw/zinc/76/97/07/1066769707.db2.gz YBIWFELJTTWMQJ-RUZDIDTESA-N -1 0 452.576 4.941 20 0 JJADRM CCN(C(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001457189939 1066782778 /nfs/dbraw/zinc/78/27/78/1066782778.db2.gz ZGEUYQMCJACNTN-UHFFFAOYSA-N -1 0 456.587 4.563 20 0 JJADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)NC[C@H]2C[C@H]2Cc2ccccc2)ccc1F ZINC001457202743 1066788449 /nfs/dbraw/zinc/78/84/49/1066788449.db2.gz XIGRMMJZGIHFDE-WOJBJXKFSA-N -1 0 452.551 4.544 20 0 JJADRM CCc1ccccc1-n1cc([O-])c(C(=O)NCC(CC)(CC)c2ccc(OC)c(OC)c2)n1 ZINC001447358762 1066798058 /nfs/dbraw/zinc/79/80/58/1066798058.db2.gz MMFUUTVYHJVJMQ-UHFFFAOYSA-N -1 0 451.567 4.645 20 0 JJADRM COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1OC(C)C ZINC001447376748 1066801527 /nfs/dbraw/zinc/80/15/27/1066801527.db2.gz TULYRMQADKZAEB-UHFFFAOYSA-N -1 0 458.511 4.675 20 0 JJADRM Cc1[nH]c2ccccc2c1SCCNC(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O ZINC001457343592 1066813468 /nfs/dbraw/zinc/81/34/68/1066813468.db2.gz NWULUPUABQNFPQ-UHFFFAOYSA-N -1 0 453.589 4.523 20 0 JJADRM O=C(N[C@@H](CC(F)(F)F)c1cccc(C(F)(F)F)c1)c1ncc(Br)cc1[O-] ZINC001447490712 1066815287 /nfs/dbraw/zinc/81/52/87/1066815287.db2.gz VGSYUGAJJUKSNK-NSHDSACASA-N -1 0 457.168 4.992 20 0 JJADRM C[C@@H]1COc2ccccc2CN1C(=O)c1nn(-c2ccc(Cl)cc2C(F)(F)F)cc1[O-] ZINC001447607479 1066828091 /nfs/dbraw/zinc/82/80/91/1066828091.db2.gz LTAMDEYXZBWNBU-GFCCVEGCSA-N -1 0 451.832 4.673 20 0 JJADRM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCC3CCCCC3)ccc2Cl)cc1 ZINC001457481400 1066840514 /nfs/dbraw/zinc/84/05/14/1066840514.db2.gz SFRJAAMMCBAOQF-UHFFFAOYSA-N -1 0 450.988 4.850 20 0 JJADRM O=C(c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1)N1CCC(c2ccncc2)CC1 ZINC001447691321 1066842783 /nfs/dbraw/zinc/84/27/83/1066842783.db2.gz ISEVIWWPRLKCHN-UHFFFAOYSA-N -1 0 455.967 4.556 20 0 JJADRM COc1ccc(NC(=O)[C@@H]2[C@H](C)[C@@H]2c2ccccc2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC001457504092 1066844714 /nfs/dbraw/zinc/84/47/14/1066844714.db2.gz MGCRODMPRMBLMQ-DURYTUKUSA-N -1 0 454.523 4.623 20 0 JJADRM Cc1cc(CCC(=O)Nc2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)no1 ZINC001457504917 1066845233 /nfs/dbraw/zinc/84/52/33/1066845233.db2.gz RUFNYEVELSBWKD-UHFFFAOYSA-N -1 0 454.335 4.662 20 0 JJADRM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cccc(Nc2ccccc2)c1 ZINC001457522110 1066850979 /nfs/dbraw/zinc/85/09/79/1066850979.db2.gz UJNJLQARVGVEBN-UHFFFAOYSA-N -1 0 450.545 4.940 20 0 JJADRM Cc1c(C(=O)Nc2ncc(C([O-])(C(F)(F)F)C(F)(F)F)s2)sc2nccc(C)c12 ZINC001457523322 1066851785 /nfs/dbraw/zinc/85/17/85/1066851785.db2.gz CQPHJBRBRVOJOA-UHFFFAOYSA-N -1 0 455.405 4.934 20 0 JJADRM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(C)cc3)ccc2Cl)cc1 ZINC001457529998 1066852817 /nfs/dbraw/zinc/85/28/17/1066852817.db2.gz JZWGJVKNIMUASJ-MRXNPFEDSA-N -1 0 458.967 4.949 20 0 JJADRM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(C)cc3)ccc2Cl)cc1 ZINC001457529981 1066853095 /nfs/dbraw/zinc/85/30/95/1066853095.db2.gz JZWGJVKNIMUASJ-INIZCTEOSA-N -1 0 458.967 4.949 20 0 JJADRM CC(C)(C)c1cccc2c1OCCN2C(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC001447789603 1066857655 /nfs/dbraw/zinc/85/76/55/1066857655.db2.gz AITAODRYQGKPIE-UHFFFAOYSA-N -1 0 456.589 4.886 20 0 JJADRM CN(Cc1cccc(Br)c1OC[C@@H]1CCCO1)C(=O)c1ccc([O-])c(Cl)c1 ZINC001447795831 1066860165 /nfs/dbraw/zinc/86/01/65/1066860165.db2.gz XQAFGZGHFFBZJZ-HNNXBMFYSA-N -1 0 454.748 4.638 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCC2CCC(C)CC2)ccc1Cl ZINC001457577491 1066869733 /nfs/dbraw/zinc/86/97/33/1066869733.db2.gz OYOGWILMTYUYAP-UHFFFAOYSA-N -1 0 450.988 4.706 20 0 JJADRM CC[C@H](NC(=O)c1nn(-c2cc(C)ccc2F)cc1[O-])c1cc(F)cc(Br)c1 ZINC001447905138 1066875516 /nfs/dbraw/zinc/87/55/16/1066875516.db2.gz OWRSQLSQIXEOPC-INIZCTEOSA-N -1 0 450.283 4.808 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2CCCC[C@H]2C)ccc1Cl ZINC001457603661 1066875834 /nfs/dbraw/zinc/87/58/34/1066875834.db2.gz SIXYPBVHOIPYSP-NVXWUHKLSA-N -1 0 450.988 4.706 20 0 JJADRM O=C(Nc1nc(Br)ccc1O)c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC001447924237 1066877493 /nfs/dbraw/zinc/87/74/93/1066877493.db2.gz DMQSGFLUOPRWAE-UHFFFAOYSA-N -1 0 455.337 4.775 20 0 JJADRM CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[N-]OCCC(F)(F)F ZINC001448004936 1066890019 /nfs/dbraw/zinc/89/00/19/1066890019.db2.gz NOLWEVFXTFAVSO-FQEVSTJZSA-N -1 0 450.457 4.550 20 0 JJADRM CC[C@H]1CCC[C@@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)C1 ZINC001457650753 1066890295 /nfs/dbraw/zinc/89/02/95/1066890295.db2.gz NQQLJENIOWJDJJ-MAUKXSAKSA-N -1 0 450.988 4.848 20 0 JJADRM O=C(Nc1nc(-c2cccc(O)c2)cs1)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC001457657013 1066890982 /nfs/dbraw/zinc/89/09/82/1066890982.db2.gz MEYUMDQHHAAHHW-UHFFFAOYSA-N -1 0 457.558 4.630 20 0 JJADRM CO[C@H](CNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)c1)C(C)C ZINC001457672407 1066895015 /nfs/dbraw/zinc/89/50/15/1066895015.db2.gz WKEMZGPJNPZPOJ-GOSISDBHSA-N -1 0 459.395 4.503 20 0 JJADRM O=C(Nc1nc2ccc(I)cc2s1)c1ccc2oc(=S)[n-]c2c1 ZINC001448083421 1066898756 /nfs/dbraw/zinc/89/87/56/1066898756.db2.gz XGTIEFSXGMLOGY-UHFFFAOYSA-N -1 0 453.286 4.583 20 0 JJADRM COc1cccc(C(C)(C)CNC(=O)c2ccc(-n3[n-]c(Cc4ccccc4)cc3=O)cc2)c1 ZINC001457715040 1066903330 /nfs/dbraw/zinc/90/33/30/1066903330.db2.gz DETWFRUJCZDMNC-UHFFFAOYSA-N -1 0 455.558 4.738 20 0 JJADRM O=C(Nc1ccc2[nH]c(=S)[nH]c2c1)c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1[O-] ZINC001457717971 1066903893 /nfs/dbraw/zinc/90/38/93/1066903893.db2.gz XPENQNKKCGCPMH-UHFFFAOYSA-N -1 0 454.726 4.955 20 0 JJADRM Cc1cc(C2CCN(C(=O)c3nn(-c4c(Cl)cc(Cl)cc4Cl)cc3[O-])CC2)[nH]n1 ZINC001457722326 1066904310 /nfs/dbraw/zinc/90/43/10/1066904310.db2.gz PSUUWYPPTKYVCR-UHFFFAOYSA-N -1 0 454.745 4.589 20 0 JJADRM CCCCn1cc(CNC(=O)c2nn(-c3c(Cl)cc(Cl)cc3Cl)cc2[O-])c(C)n1 ZINC001457732478 1066906157 /nfs/dbraw/zinc/90/61/57/1066906157.db2.gz RCMNBUCWMNKRLW-UHFFFAOYSA-N -1 0 456.761 4.773 20 0 JJADRM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)[C@@H](C)CSc1ccc(F)cc1 ZINC001457788634 1066920573 /nfs/dbraw/zinc/92/05/73/1066920573.db2.gz MYIGKVBBWIPZFR-PGRDOPGGSA-N -1 0 455.599 4.793 20 0 JJADRM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1ccc(Oc2cccnc2)cc1 ZINC001457794490 1066922781 /nfs/dbraw/zinc/92/27/81/1066922781.db2.gz ZYXBQNYERMVAOR-DEOSSOPVSA-N -1 0 456.546 4.727 20 0 JJADRM CCOc1cc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3OC)c2)ccc1C ZINC001457808233 1066925396 /nfs/dbraw/zinc/92/53/96/1066925396.db2.gz DIACMYYLIPOLNN-UHFFFAOYSA-N -1 0 454.548 4.764 20 0 JJADRM CC[C@@](C)(CNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)c1)OC ZINC001457821868 1066928072 /nfs/dbraw/zinc/92/80/72/1066928072.db2.gz IGAPCPHFZXXSSE-FQEVSTJZSA-N -1 0 459.395 4.648 20 0 JJADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(Cl)c(CN(C)C)c2)cc1 ZINC001448537356 1066937161 /nfs/dbraw/zinc/93/71/61/1066937161.db2.gz GDXPQQIJKWMLFN-UHFFFAOYSA-N -1 0 457.983 4.763 20 0 JJADRM COc1ccccc1CO[N-]C(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21 ZINC001448590890 1066940553 /nfs/dbraw/zinc/94/05/53/1066940553.db2.gz LIBFUZQWQHGSJS-UHFFFAOYSA-N -1 0 451.910 4.525 20 0 JJADRM COCCCn1c(=O)c2ccc(C(=O)N3C[C@H](C(C)(C)C)c4ccccc43)cc2[n-]c1=S ZINC001448665786 1066947360 /nfs/dbraw/zinc/94/73/60/1066947360.db2.gz BOTWNDQGAFDZKX-IBGZPJMESA-N -1 0 451.592 4.512 20 0 JJADRM O=C(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC001457956834 1066948418 /nfs/dbraw/zinc/94/84/18/1066948418.db2.gz ZNONTVZRATXTBK-FMKPAKJESA-N -1 0 453.391 4.960 20 0 JJADRM CCCCn1ncc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)c1C(C)C ZINC001448847426 1066963982 /nfs/dbraw/zinc/96/39/82/1066963982.db2.gz JVCCZBUEFSLXJI-UHFFFAOYSA-N -1 0 458.559 4.999 20 0 JJADRM Cc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)Nc2cc(-n3cccn3)ccc2C)cc1 ZINC001449048613 1066979384 /nfs/dbraw/zinc/97/93/84/1066979384.db2.gz QPIKKYGNZKVOMN-UHFFFAOYSA-N -1 0 452.561 4.604 20 0 JJADRM O=C(Nc1ccc(NC(=O)c2cc(Cl)ccc2[O-])c(Cl)c1)c1cccn(C2CC2)c1=O ZINC001449135507 1066985124 /nfs/dbraw/zinc/98/51/24/1066985124.db2.gz UISJHFSFVZPANY-UHFFFAOYSA-N -1 0 458.301 4.700 20 0 JJADRM C[C@H](O)c1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2)ccc1F ZINC001449158112 1066985818 /nfs/dbraw/zinc/98/58/18/1066985818.db2.gz GWFLYHIMTYLHMM-NSHDSACASA-N -1 0 454.932 4.647 20 0 JJADRM CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)c2[O-])CC1 ZINC001449570318 1067015260 /nfs/dbraw/zinc/01/52/60/1067015260.db2.gz ADBWZNAPLNEEDI-GOSISDBHSA-N -1 0 456.505 4.909 20 0 JJADRM CN(C[C@@H]1OCCc2ccccc21)C(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC001449907259 1067036259 /nfs/dbraw/zinc/03/62/59/1067036259.db2.gz XGXURXVMFLSSBT-FQEVSTJZSA-N -1 0 456.951 4.745 20 0 JJADRM CC[C@H](C)[C@@H](CNC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1)OC ZINC001449917191 1067037439 /nfs/dbraw/zinc/03/74/39/1067037439.db2.gz ONOYJVFRFUUAMZ-SCLBCKFNSA-N -1 0 459.395 4.585 20 0 JJADRM O=C(c1nn(-c2ccc(Cl)cc2)cc1[O-])N1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC001450021513 1067041794 /nfs/dbraw/zinc/04/17/94/1067041794.db2.gz CUNMUBOXCCHSPK-UHFFFAOYSA-N -1 0 456.877 4.726 20 0 JJADRM O=C(CCn1c(=O)c2ccccc2[n-]c1=S)Nc1cccc(-c2ccc(F)cc2Cl)n1 ZINC001450199794 1067059170 /nfs/dbraw/zinc/05/91/70/1067059170.db2.gz WTTUBQVDNGWNHB-UHFFFAOYSA-N -1 0 454.914 4.569 20 0 JJADRM COc1ccc([C@@H]2CCN(c3nc4cc(C)ccc4s3)C[C@@H]2[N-]C(=O)C(F)(F)F)cc1F ZINC001458474038 1067071161 /nfs/dbraw/zinc/07/11/61/1067071161.db2.gz OSBUVISSQRBPCR-YOEHRIQHSA-N -1 0 467.488 4.793 20 0 JJADRM CCOc1cc(Br)c(F)cc1NC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC001450679168 1067102005 /nfs/dbraw/zinc/10/20/05/1067102005.db2.gz WGHDDTIQVMJFQF-UHFFFAOYSA-N -1 0 454.683 4.784 20 0 JJADRM Cc1cc(NC(=O)c2sccc2S(=O)(=O)[N-]c2cnn(C)c2)ccc1-c1ccccc1 ZINC001450715758 1067109498 /nfs/dbraw/zinc/10/94/98/1067109498.db2.gz PHMMJQLOMDTVHC-UHFFFAOYSA-N -1 0 452.561 4.510 20 0 JJADRM O=C(c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)N1CCC(c2cccc(F)c2)CC1 ZINC001450853440 1067132343 /nfs/dbraw/zinc/13/23/43/1067132343.db2.gz VKKGYEVJGKZKKN-UHFFFAOYSA-N -1 0 456.514 4.785 20 0 JJADRM CC(C)[C@@H](C(=O)[N-]OCc1ccccn1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001451094541 1067146061 /nfs/dbraw/zinc/14/60/61/1067146061.db2.gz XREBLXWZJIWVCM-VWLOTQADSA-N -1 0 459.546 4.535 20 0 JJADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2cccc(CCO)c2)c1C ZINC001451337482 1067160210 /nfs/dbraw/zinc/16/02/10/1067160210.db2.gz BTOSKTKDAPDQLO-UHFFFAOYSA-N -1 0 452.576 4.508 20 0 JJADRM O=C(CCCCCn1c(=O)c2ccccc2[n-]c1=S)N1CCC[C@H]1c1ccc(F)cc1F ZINC001451419262 1067169748 /nfs/dbraw/zinc/16/97/48/1067169748.db2.gz PMMCJJOEOJPALS-NRFANRHFSA-N -1 0 457.546 4.888 20 0 JJADRM COCC1CCC(NC(=O)c2cc3ccccc3cc2[N-]S(=O)(=O)c2cccs2)CC1 ZINC001451429295 1067170731 /nfs/dbraw/zinc/17/07/31/1067170731.db2.gz WHUDXHRPWZNEKL-UHFFFAOYSA-N -1 0 458.605 4.637 20 0 JJADRM O=C(c1nn(-c2ccc(Cl)cc2C(F)(F)F)cc1[O-])N1CCC(c2cccnc2)CC1 ZINC001545827469 1067177730 /nfs/dbraw/zinc/17/77/30/1067177730.db2.gz OTEASKPECQWXMM-UHFFFAOYSA-N -1 0 450.848 4.665 20 0 JJADRM O=C([N-]C[C@H]1Cc2ccccc2N1C(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1)C(F)(F)F ZINC001451848411 1067193826 /nfs/dbraw/zinc/19/38/26/1067193826.db2.gz JQCYLQQRWINXAR-LLVKDONJSA-N -1 0 456.251 4.725 20 0 JJADRM CC[C@H](c1nnc(SCC(=O)C2([N-]C(=O)C(F)(F)F)CCCCC2)o1)c1ccccc1 ZINC001458936215 1067202461 /nfs/dbraw/zinc/20/24/61/1067202461.db2.gz PCYPQHXVNFBOCV-HNNXBMFYSA-N -1 0 455.502 4.654 20 0 JJADRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)N[C@@H](C)C2CCCCC2)c1 ZINC001452004361 1067202955 /nfs/dbraw/zinc/20/29/55/1067202955.db2.gz SBLWPWAQLBQMEN-HNNXBMFYSA-N -1 0 450.988 4.848 20 0 JJADRM CCc1c([O-])nc(SCC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)n(-c2ccccc2C)c1=O ZINC001458944594 1067204252 /nfs/dbraw/zinc/20/42/52/1067204252.db2.gz HRDWFQFNFLRVIT-LSDHHAIUSA-N -1 0 454.514 4.839 20 0 JJADRM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Oc2cccc3c2OCCC3)ccc1Cl ZINC001452260844 1067216747 /nfs/dbraw/zinc/21/67/47/1067216747.db2.gz NKPDWGVZPMJNTN-UHFFFAOYSA-N -1 0 457.935 4.993 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)c1 ZINC001546105714 1067233191 /nfs/dbraw/zinc/23/31/91/1067233191.db2.gz TVIQDKOMTTUMSF-BHIYHBOVSA-N -1 0 458.580 4.747 20 0 JJADRM COc1cccc2c1OCC[C@H]2NC(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC001452648083 1067240228 /nfs/dbraw/zinc/24/02/28/1067240228.db2.gz JTYSKJWGHDGEHK-MRXNPFEDSA-N -1 0 458.923 4.622 20 0 JJADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCN(c4ccc(Cl)c(Cl)c4)CC3)n2)c1 ZINC001452996256 1067272049 /nfs/dbraw/zinc/27/20/49/1067272049.db2.gz ATVBJQLIDNQDFU-UHFFFAOYSA-N -1 0 459.377 4.971 20 0 JJADRM C[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)c1ncc(Br)cc1[O-] ZINC001452997129 1067272768 /nfs/dbraw/zinc/27/27/68/1067272768.db2.gz KQCQQMCKXIQKJS-GOSISDBHSA-N -1 0 459.262 4.686 20 0 JJADRM O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1)[N-]Oc1ccc(F)cc1 ZINC001453027444 1067274428 /nfs/dbraw/zinc/27/44/28/1067274428.db2.gz DAQXQYGCZWTTOH-UHFFFAOYSA-N -1 0 456.449 4.554 20 0 JJADRM Cc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)Nc2ccc3c(c2)[C@H](O)CCCC3)cc1 ZINC001453006313 1067274444 /nfs/dbraw/zinc/27/44/44/1067274444.db2.gz INZCLQXIIFZBCR-HXUWFJFHSA-N -1 0 456.589 4.869 20 0 JJADRM Cc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)Nc2ccc3c(c2)[C@@H](O)CCCC3)cc1 ZINC001453006298 1067274516 /nfs/dbraw/zinc/27/45/16/1067274516.db2.gz INZCLQXIIFZBCR-FQEVSTJZSA-N -1 0 456.589 4.869 20 0 JJADRM CC1(C)CN(C(=O)c2cc(Br)c([O-])c(Br)c2)CCc2ccccc21 ZINC001453228822 1067290814 /nfs/dbraw/zinc/29/08/14/1067290814.db2.gz SLFOKUPLZNWFLT-UHFFFAOYSA-N -1 0 453.174 4.893 20 0 JJADRM CSc1ccc(Cl)c(NC(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2ccco2)c3=O)c1 ZINC001453318513 1067296873 /nfs/dbraw/zinc/29/68/73/1067296873.db2.gz IEYSRDRZCWJUOP-UHFFFAOYSA-N -1 0 457.964 4.954 20 0 JJADRM O=C(Nc1ccc2c(c1)COC(=O)N2)c1nn(-c2ccc(Cl)cc2C(F)(F)F)cc1[O-] ZINC001453502504 1067309954 /nfs/dbraw/zinc/30/99/54/1067309954.db2.gz XGDYZHYGAZJHGN-UHFFFAOYSA-N -1 0 452.776 4.565 20 0 JJADRM CCO[C@@]1(C)C[C@H]1NC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(C)(C)C)cc(C)c1C ZINC001453672629 1067321176 /nfs/dbraw/zinc/32/11/76/1067321176.db2.gz UGOCMPYMMROMJL-RDGATRHJSA-N -1 0 458.624 4.699 20 0 JJADRM CC[C@H](Oc1ccccc1Cl)C(=O)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC001453680406 1067321724 /nfs/dbraw/zinc/32/17/24/1067321724.db2.gz JAIIOVLPORTLBF-QRQLOZEOSA-N -1 0 468.903 4.561 20 0 JJADRM O=C(c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1)N1CCC[C@H](C2CCC2)C1 ZINC001453686974 1067322655 /nfs/dbraw/zinc/32/26/55/1067322655.db2.gz YQQSRWBQFWYBRN-KRWDZBQOSA-N -1 0 450.963 4.932 20 0 JJADRM C[C@](CO)([N-]C(=O)C(F)(F)c1ccccc1Br)c1cccc(C(F)(F)F)c1 ZINC001453690491 1067322679 /nfs/dbraw/zinc/32/26/79/1067322679.db2.gz AXFVKFUFBIGWJN-MRXNPFEDSA-N -1 0 452.217 4.584 20 0 JJADRM CCCc1ncc(C[N-]C(=O)C(F)(F)c2ccc(OC(F)(F)F)c(Br)c2)o1 ZINC001460030194 1067534112 /nfs/dbraw/zinc/53/41/12/1067534112.db2.gz AYUZEOCIDFZKOF-UHFFFAOYSA-N -1 0 457.193 4.696 20 0 JJADRM CCOC(=O)c1onc(-c2ccccc2)c1[N-]C(=O)c1c(F)cc(Br)cc1F ZINC001460061393 1067542449 /nfs/dbraw/zinc/54/24/49/1067542449.db2.gz PSAQZZMOVVHWDN-UHFFFAOYSA-N -1 0 451.223 4.811 20 0 JJADRM C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC001460274737 1067595784 /nfs/dbraw/zinc/59/57/84/1067595784.db2.gz YTSFCYXSQOLIIW-GOEBONIOSA-N -1 0 457.571 4.733 20 0 JJADRM COC(=O)[C@@H](c1cccc(Cl)c1Cl)N(C)Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC001460514347 1067647074 /nfs/dbraw/zinc/64/70/74/1067647074.db2.gz ZFHFIYZVHKMBFB-LJQANCHMSA-N -1 0 456.709 4.805 20 0 JJADRM O=C([N-]c1nsc(Cc2ccc(F)cc2)n1)c1cc(-c2cccc(Br)c2)no1 ZINC001461015273 1067762361 /nfs/dbraw/zinc/76/23/61/1067762361.db2.gz FAFOHBMOYULKBF-UHFFFAOYSA-N -1 0 459.300 4.938 20 0 JJADRM O=C([N-][C@H]1CN(C(=O)c2ccc(-c3ccccc3)o2)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC001461420367 1067852336 /nfs/dbraw/zinc/85/23/36/1067852336.db2.gz RVMBUFLEGICTPO-OALUTQOASA-N -1 0 460.427 4.763 20 0 JJADRM O=S(=O)([N-]c1nccs1)c1cccc(NCc2cc(Br)ccc2Cl)c1 ZINC001461491290 1067874460 /nfs/dbraw/zinc/87/44/60/1067874460.db2.gz NMSGYWUVTWJVQO-UHFFFAOYSA-N -1 0 458.790 4.972 20 0 JJADRM COc1ccc([C@@H]2CCN(C/C=C/c3ccc(F)c(F)c3)C[C@@H]2[N-]C(=O)C(F)(F)F)cc1F ZINC001462413251 1068069298 /nfs/dbraw/zinc/06/92/98/1068069298.db2.gz KNGREZDSNPZXGG-ZCMOXLTCSA-N -1 0 472.429 4.662 20 0 JJADRM O=C([N-][C@H]1CN(Cc2cccc(F)c2Br)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC001462415788 1068069770 /nfs/dbraw/zinc/06/97/70/1068069770.db2.gz XWDAPJGEGSYRGJ-RDJZCZTQSA-N -1 0 477.271 4.764 20 0 JJADRM O=C1CCC[C@@H](c2cccc(NCc3cc(Br)c([O-])c(Br)c3)c2)N1 ZINC001462589042 1068105731 /nfs/dbraw/zinc/10/57/31/1068105731.db2.gz LEFJNWYBBOVKBP-INIZCTEOSA-N -1 0 454.162 4.871 20 0 JJADRM O=S(=O)(N=[S@](=O)(c1ccccc1)C(F)(F)F)[N-][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC001462734524 1068147552 /nfs/dbraw/zinc/14/75/52/1068147552.db2.gz RKXRTRAALQLONC-JWIGPWBQSA-N -1 0 452.907 4.672 20 0 JJADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](Cc2ccccc2Cl)c2ccccc2)oc1Cl ZINC001462950391 1068226343 /nfs/dbraw/zinc/22/63/43/1068226343.db2.gz DWVIYGYRCDMNNI-KRWDZBQOSA-N -1 0 454.331 4.635 20 0 JJADRM CC(C)COC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F)c1ccco1 ZINC001462994056 1068242509 /nfs/dbraw/zinc/24/25/09/1068242509.db2.gz WRRIWNPBCMXLOI-AWEZNQCLSA-N -1 0 454.745 4.527 20 0 JJADRM COC(=O)c1cc(F)cc(S(=O)(=O)NCc2ccccc2-c2ccc(Cl)cc2)c1F ZINC001462998920 1068244569 /nfs/dbraw/zinc/24/45/69/1068244569.db2.gz DQTZZSSEGDIMQU-UHFFFAOYSA-N -1 0 451.878 4.550 20 0 JJADRM COc1cc(F)c(S(=O)(=O)N[C@@H](c2ccccc2Cl)c2ccccc2OC)c(F)c1 ZINC001463165912 1068307952 /nfs/dbraw/zinc/30/79/52/1068307952.db2.gz FWOXQLSIJNZWKJ-FQEVSTJZSA-N -1 0 453.894 4.703 20 0 JJADRM Cc1nn(-c2ccccc2)c(C)c1[C@@H]([N-]S(=O)(=O)Cc1ccc(C)cc1F)C(F)(F)F ZINC001463237805 1068330974 /nfs/dbraw/zinc/33/09/74/1068330974.db2.gz KYYHITZCERXPTB-HXUWFJFHSA-N -1 0 455.477 4.660 20 0 JJADRM C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1noc(-c2ccc(Cl)cc2)n1 ZINC001463285596 1068344613 /nfs/dbraw/zinc/34/46/13/1068344613.db2.gz YGDFYPJGFZOQBL-QMMMGPOBSA-N -1 0 450.706 4.875 20 0 JJADRM O=S(=O)([N-][C@H](c1ccccc1OC(F)F)C(F)(F)F)c1cc(Cl)cnc1Cl ZINC001463437753 1068397246 /nfs/dbraw/zinc/39/72/46/1068397246.db2.gz PUBVHKUWDRCENT-LLVKDONJSA-N -1 0 451.200 4.572 20 0 JJADRM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](c1cccc2ccccc21)C(F)(F)F ZINC001463495533 1068419235 /nfs/dbraw/zinc/41/92/35/1068419235.db2.gz DHDAEFOMGKFQSH-GOSISDBHSA-N -1 0 457.857 4.862 20 0 JJADRM O=S(=O)([N-][C@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1cnc(Cl)c(Cl)c1 ZINC001463500515 1068420545 /nfs/dbraw/zinc/42/05/45/1068420545.db2.gz BVCAPXLNLRRIGQ-LLVKDONJSA-N -1 0 453.191 4.989 20 0 JJADRM CC/C(C)=C/C(=O)Nc1ccc(N2CCCCC2)c(S(=O)(=O)[N-]c2ccccc2OC)c1 ZINC001463539401 1068433877 /nfs/dbraw/zinc/43/38/77/1068433877.db2.gz HIYZRKATALIQCZ-FBMGVBCBSA-N -1 0 457.596 4.781 20 0 JJADRM Cc1ccc(C)c(Sc2ccc(NC(=O)c3cc(S(=O)(=O)N(C)C)ccc3[O-])cc2)c1 ZINC001463590793 1068458944 /nfs/dbraw/zinc/45/89/44/1068458944.db2.gz VJQVAJRIFYNRSE-UHFFFAOYSA-N -1 0 456.589 4.663 20 0 JJADRM O=C(CCCCCn1c(=O)c2ccccc2[n-]c1=S)Nc1ccccc1N1CCCCC1 ZINC001463602393 1068461762 /nfs/dbraw/zinc/46/17/62/1068461762.db2.gz BNEGNEWTMLFTAG-UHFFFAOYSA-N -1 0 450.608 4.875 20 0 JJADRM COc1ccc(NC(=O)/C=C/c2ncccc2C)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC001463701223 1068499114 /nfs/dbraw/zinc/49/91/14/1068499114.db2.gz WQXBQVFMKHJWPN-ZRDIBKRKSA-N -1 0 457.939 4.505 20 0 JJADRM COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1Cl ZINC001463714510 1068502628 /nfs/dbraw/zinc/50/26/28/1068502628.db2.gz ZNJCFAPBOMITFR-UHFFFAOYSA-N -1 0 452.866 4.680 20 0 JJADRM Cc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)NCCc2ccc(OC(C)C)cc2)cc1 ZINC001463730278 1068506506 /nfs/dbraw/zinc/50/65/06/1068506506.db2.gz BSGMSURFMUFRGR-UHFFFAOYSA-N -1 0 458.605 4.617 20 0 JJADRM CCOc1ccc(-c2nc(NC(=O)c3nn(-c4ccc(OC)cc4)cc3[O-])sc2C)cc1 ZINC001463750267 1068512648 /nfs/dbraw/zinc/51/26/48/1068512648.db2.gz MZTUUDATGQPCKF-UHFFFAOYSA-N -1 0 450.520 4.669 20 0 JJADRM CCc1cccc(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)c1 ZINC001463846081 1068546308 /nfs/dbraw/zinc/54/63/08/1068546308.db2.gz PYHDZKOBXNKOAF-UHFFFAOYSA-N -1 0 458.967 4.893 20 0 JJADRM O=C(NCc1nc2ccccc2s1)c1nn(-c2ccc(Cl)cc2C(F)(F)F)cc1[O-] ZINC001463894584 1068558298 /nfs/dbraw/zinc/55/82/98/1068558298.db2.gz NYZPFDJIUZAWPY-UHFFFAOYSA-N -1 0 452.845 4.790 20 0 JJADRM CCN(CCc1cccs1)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC001463999558 1068584532 /nfs/dbraw/zinc/58/45/32/1068584532.db2.gz YUKRCYYDWCMAPH-UHFFFAOYSA-N -1 0 450.532 4.532 20 0 JJADRM O=C(N[C@H](c1cccs1)c1ccc(F)cc1)c1cccc([N-]S(=O)(=O)C(F)(F)F)c1 ZINC001464002254 1068585682 /nfs/dbraw/zinc/58/56/82/1068585682.db2.gz BCDBMYXOXZBANJ-KRWDZBQOSA-N -1 0 458.458 4.668 20 0 JJADRM C[C@H]1CCC[C@H](OCC(=O)Nc2cc(Cl)ccc2[N-]S(=O)(=O)c2ccccc2F)C1 ZINC001464086213 1068609630 /nfs/dbraw/zinc/60/96/30/1068609630.db2.gz CPQSKEVVBFFICT-HOCLYGCPSA-N -1 0 454.951 4.814 20 0 JJADRM O=C(Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1F)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001464086215 1068609652 /nfs/dbraw/zinc/60/96/52/1068609652.db2.gz CQHURVMXRNRWTA-BNOWGMLFSA-N -1 0 458.889 4.900 20 0 JJADRM C[C@@H]1CCC[C@H](OCC(=O)Nc2cc(Cl)ccc2[N-]S(=O)(=O)c2ccccc2F)C1 ZINC001464086214 1068609720 /nfs/dbraw/zinc/60/97/20/1068609720.db2.gz CPQSKEVVBFFICT-ZBFHGGJFSA-N -1 0 454.951 4.814 20 0 JJADRM O=S(=O)(NCc1cccnc1Oc1cccc(C(F)(F)F)c1)c1cccc(Cl)c1[O-] ZINC001464172869 1068643003 /nfs/dbraw/zinc/64/30/03/1068643003.db2.gz VDFQUQGZGNNCRS-UHFFFAOYSA-N -1 0 458.845 4.730 20 0 JJADRM O=C(Nc1ccc(F)c([N-]S(=O)(=O)c2cccs2)c1)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC001464227621 1068665843 /nfs/dbraw/zinc/66/58/43/1068665843.db2.gz PJNZPLISTFXGLQ-QWHCGFSZSA-N -1 0 452.479 4.708 20 0 JJADRM O=C(/C=C/c1ccnc2ccccc12)Nc1ccc(F)c([N-]S(=O)(=O)c2cccs2)c1 ZINC001464231365 1068667177 /nfs/dbraw/zinc/66/71/77/1068667177.db2.gz VTPXJFUXUPNCKB-JXMROGBWSA-N -1 0 453.520 4.888 20 0 JJADRM O=C(/C=C\c1ccnc2ccccc12)Nc1ccc(F)c([N-]S(=O)(=O)c2cccs2)c1 ZINC001464231371 1068667220 /nfs/dbraw/zinc/66/72/20/1068667220.db2.gz VTPXJFUXUPNCKB-YFHOEESVSA-N -1 0 453.520 4.888 20 0 JJADRM O=C(c1cc(Br)c([O-])c(Br)c1)N1CCC[C@H]1Cc1ccc(F)cc1 ZINC001464382866 1068726272 /nfs/dbraw/zinc/72/62/72/1068726272.db2.gz PRFUCDGGZQFYDR-AWEZNQCLSA-N -1 0 457.137 4.904 20 0 JJADRM CC(C)(C)[C@@H]1CCc2nc(NC(=O)c3ccc(I)cc3[O-])sc2C1 ZINC001546147164 1068757897 /nfs/dbraw/zinc/75/78/97/1068757897.db2.gz KLHTVEGALRISLG-SNVBAGLBSA-N -1 0 456.349 4.857 20 0 JJADRM COCCN(C(=O)c1nn(-c2cccc(F)c2)cc1[O-])[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001464553101 1068779653 /nfs/dbraw/zinc/77/96/53/1068779653.db2.gz PWZZWTBJINMETM-CQSZACIVSA-N -1 0 451.420 4.586 20 0 JJADRM O=C(Nc1cccc(C(=O)N2CCc3ccccc32)c1)c1cc(Br)c(F)cc1[O-] ZINC001464553603 1068780180 /nfs/dbraw/zinc/78/01/80/1068780180.db2.gz DTZRKQKPUCNIFR-UHFFFAOYSA-N -1 0 455.283 4.749 20 0 JJADRM Cc1cc(SC2CCCCC2)ccc1NC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC001464575389 1068788302 /nfs/dbraw/zinc/78/83/02/1068788302.db2.gz TUUUBGSODOZUFZ-UHFFFAOYSA-N -1 0 454.564 4.615 20 0 JJADRM O=C(N[C@H](c1ccc(F)cc1)C1CCCC1)c1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC001464595672 1068794261 /nfs/dbraw/zinc/79/42/61/1068794261.db2.gz CBCYPHDIFIJJGV-FQEVSTJZSA-N -1 0 459.568 4.744 20 0 JJADRM CC(C)Oc1ccc(CNC(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])c(C(F)(F)F)c1 ZINC001464714780 1068836322 /nfs/dbraw/zinc/83/63/22/1068836322.db2.gz AWSYSHZETUNKPZ-UHFFFAOYSA-N -1 0 455.383 4.592 20 0 JJADRM C[C@H](NC(=O)c1ocnc1-c1ccccc1)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC001545850402 1064261324 /nfs/dbraw/zinc/26/13/24/1064261324.db2.gz GZNXKEWSBGZBNG-HNNXBMFYSA-N -1 0 453.545 4.695 20 0 JJADRM C[C@@H](NC(=O)c1cc(F)c(F)c(F)c1F)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC001545853999 1064263682 /nfs/dbraw/zinc/26/36/82/1064263682.db2.gz YJEYVLVXXJJZFJ-SNVBAGLBSA-N -1 0 458.458 4.596 20 0 JJADRM CS(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)Nc1ccc(Br)c(Cl)c1 ZINC001435602732 1064866584 /nfs/dbraw/zinc/86/65/84/1064866584.db2.gz GWEKQEWNIYMNDW-UHFFFAOYSA-N -1 0 453.745 4.880 20 0 JJADRM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)c1 ZINC001436243577 1065272452 /nfs/dbraw/zinc/27/24/52/1065272452.db2.gz UHCXACXPPDPFAR-UHFFFAOYSA-N -1 0 451.445 4.773 20 0 JJADRM CCc1ccc([C@@H](C)C(=O)N2CC[C@@H](c3cccc(F)c3)[C@@H]([N-]C(=O)C(F)(F)F)C2)cc1 ZINC001437477387 1065560259 /nfs/dbraw/zinc/56/02/59/1065560259.db2.gz RZVPGJYZQVXNPM-NQERJWCQSA-N -1 0 450.476 4.555 20 0 JJADRM O=C([N-][C@H]1CC[C@@H](C(F)(F)F)N(C(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)C1)C(F)(F)F ZINC001437707599 1065594536 /nfs/dbraw/zinc/59/45/36/1065594536.db2.gz YBKIREFDMXRCRP-RUGDWHBFSA-N -1 0 458.402 4.544 20 0 JJADRM O=C([N-][C@H]1CC[C@@H](C(F)(F)F)N(C(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)C1)C(F)(F)F ZINC001437707585 1065594737 /nfs/dbraw/zinc/59/47/37/1065594737.db2.gz YBKIREFDMXRCRP-LIRZEXBASA-N -1 0 458.402 4.544 20 0 JJADRM COCC1(C(=O)Nc2ccc([N-]S(=O)(=O)c3c(Cl)cccc3Cl)cc2)CCCC1 ZINC001440368356 1065932881 /nfs/dbraw/zinc/93/28/81/1065932881.db2.gz FRZWOYRVUVYXRI-UHFFFAOYSA-N -1 0 457.379 4.940 20 0 JJADRM CC(C)c1ccc(CCNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC001440371711 1065933636 /nfs/dbraw/zinc/93/36/36/1065933636.db2.gz OZRLDLXVLGFWDT-UHFFFAOYSA-N -1 0 458.530 4.862 20 0 JJADRM Cc1cc(C(=O)Nc2ccc([N-]S(=O)(=O)c3c(Cl)cccc3Cl)cc2)cnc1F ZINC001440378255 1065934711 /nfs/dbraw/zinc/93/47/11/1065934711.db2.gz OPHGHFMKWAWLNH-UHFFFAOYSA-N -1 0 454.310 4.889 20 0 JJADRM C[C@@H](NC(=O)c1cccc(I)c1[O-])c1cc(F)c(Cl)cc1Cl ZINC001440723593 1065971292 /nfs/dbraw/zinc/97/12/92/1065971292.db2.gz AIFQKODOCFNWCT-SSDOTTSWSA-N -1 0 454.066 4.934 20 0 JJADRM CCOc1cc(NC(=O)c2cc(F)cc(F)c2[O-])c(OCC)cc1NC(=O)c1ccccc1 ZINC001440956360 1065996715 /nfs/dbraw/zinc/99/67/15/1065996715.db2.gz VKSRPNBMLPLLEJ-UHFFFAOYSA-N -1 0 456.445 4.972 20 0 JJADRM O=C(CCCCCn1c(=O)c2ccccc2[n-]c1=S)N(Cc1ccco1)Cc1ccco1 ZINC001441123155 1066009654 /nfs/dbraw/zinc/00/96/54/1066009654.db2.gz KHJKUSSJLSSDME-UHFFFAOYSA-N -1 0 451.548 4.661 20 0 JJADRM CNc1ccc(C(=O)Nc2cc(Cl)ccc2[N-]S(=O)(=O)c2ccccc2F)cc1F ZINC001441186636 1066012982 /nfs/dbraw/zinc/01/29/82/1066012982.db2.gz JLXAZOHZCJLWCW-UHFFFAOYSA-N -1 0 451.882 4.713 20 0 JJADRM COc1cc(C)ccc1Oc1ccc(NC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])cn1 ZINC001441363453 1066035211 /nfs/dbraw/zinc/03/52/11/1066035211.db2.gz SYWBQENCJMDQPU-UHFFFAOYSA-N -1 0 450.882 4.988 20 0 JJADRM CCCCCOc1ccc([C@@H](C)NC(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])cc1OC ZINC001441449677 1066042072 /nfs/dbraw/zinc/04/20/72/1066042072.db2.gz OAGXSJYYYNMUIW-OAHLLOKOSA-N -1 0 459.493 4.925 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)NC[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c1 ZINC001442619985 1066145794 /nfs/dbraw/zinc/14/57/94/1066145794.db2.gz QALFYSXQJDGNKN-CBQOVEMMSA-N -1 0 458.624 4.934 20 0 JJADRM O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F)c1cc(Cn2cccn2)on1 ZINC001361012974 1066198194 /nfs/dbraw/zinc/19/81/94/1066198194.db2.gz WNXMAHJPSRFHET-UHFFFAOYSA-N -1 0 450.364 4.845 20 0 JJADRM CC[C@H](NC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1[O-])C1CCCCC1 ZINC001442780046 1066221730 /nfs/dbraw/zinc/22/17/30/1066221730.db2.gz FQVUDOVYIFLIDQ-FQEVSTJZSA-N -1 0 450.988 4.935 20 0 JJADRM CCC[C@@H](Cc1ccccc1)N(CCC)C(=O)c1cnc(I)c([O-])c1 ZINC001443067925 1066262283 /nfs/dbraw/zinc/26/22/83/1066262283.db2.gz DLCFXEMWBTWQMF-KRWDZBQOSA-N -1 0 452.336 4.655 20 0 JJADRM CCCOc1ccc(NC(=O)c2cc(Br)c([O-])c(Br)c2)cc1OC ZINC001454500273 1066293779 /nfs/dbraw/zinc/29/37/79/1066293779.db2.gz WARXOXNWTMHRFI-UHFFFAOYSA-N -1 0 459.134 4.967 20 0 JJADRM Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2Cc2ccccc2)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC001443309553 1066293694 /nfs/dbraw/zinc/29/36/94/1066293694.db2.gz ZVCGNDFSHRVKDG-YLJYHZDGSA-N -1 0 454.514 4.788 20 0 JJADRM Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2Cc2ccccc2)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC001443309542 1066293887 /nfs/dbraw/zinc/29/38/87/1066293887.db2.gz ZVCGNDFSHRVKDG-FXAWDEMLSA-N -1 0 454.514 4.788 20 0 JJADRM Cc1cccc(NS(=O)(=O)c2cc(C(=O)NC3CCC(OC(C)(C)C)CC3)ccc2C)c1 ZINC001454557893 1066301396 /nfs/dbraw/zinc/30/13/96/1066301396.db2.gz ZSFYPOLGSPHNCC-UHFFFAOYSA-N -1 0 458.624 4.960 20 0 JJADRM COc1ccccc1[C@H]1CCCCN1C(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC001443364262 1066302290 /nfs/dbraw/zinc/30/22/90/1066302290.db2.gz NBAPKWNRNJQZQY-HXUWFJFHSA-N -1 0 456.589 4.925 20 0 JJADRM Cc1ccc(C(C)(C)CNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC001443406127 1066306935 /nfs/dbraw/zinc/30/69/35/1066306935.db2.gz MMEZFKQRLYTYIH-UHFFFAOYSA-N -1 0 454.567 4.951 20 0 JJADRM O=C(Nc1nc2ccc(OCC(F)(F)F)cc2s1)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC001443506406 1066320829 /nfs/dbraw/zinc/32/08/29/1066320829.db2.gz ZCZPZINIKJWQLB-UHFFFAOYSA-N -1 0 452.389 4.520 20 0 JJADRM COC[C@H](NC(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-])c1cccc(Br)c1 ZINC001455005397 1066351725 /nfs/dbraw/zinc/35/17/25/1066351725.db2.gz KXEZSENDKAUELK-IBGZPJMESA-N -1 0 458.356 4.581 20 0 JJADRM O=C(Nc1ccc2cc(Cl)cnc2n1)c1cc(Br)c([O-])c(Br)c1 ZINC001455025476 1066354065 /nfs/dbraw/zinc/35/40/65/1066354065.db2.gz KHPCHBOHDCALSO-UHFFFAOYSA-N -1 0 457.509 4.766 20 0 JJADRM COc1ccccc1CCN(C)C(=O)c1nn(-c2ccc(Cl)cc2C(F)(F)F)cc1[O-] ZINC001443725238 1066357287 /nfs/dbraw/zinc/35/72/87/1066357287.db2.gz KXFPTRXXMRWBIL-UHFFFAOYSA-N -1 0 453.848 4.573 20 0 JJADRM Cc1ccc(C[C@@H](C)NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2C)c(C)c1 ZINC001443950373 1066387639 /nfs/dbraw/zinc/38/76/39/1066387639.db2.gz RIPCKOPCXBNPGR-LJQANCHMSA-N -1 0 454.567 4.913 20 0 JJADRM Cc1ccc(CCNC(=O)c2cc3ccccc3cc2[N-]S(=O)(=O)c2cccs2)cc1 ZINC001444052995 1066397153 /nfs/dbraw/zinc/39/71/53/1066397153.db2.gz ANYKDCNJJACKTL-UHFFFAOYSA-N -1 0 450.585 4.983 20 0 JJADRM CC(C)(C)OC[C@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC001455566072 1066410709 /nfs/dbraw/zinc/41/07/09/1066410709.db2.gz CFZCUMCEIAUZLO-MRXNPFEDSA-N -1 0 457.017 4.622 20 0 JJADRM Cc1cnc(CNC(=O)c2cc3ccccc3cc2[N-]S(=O)(=O)c2cccs2)c(C)c1 ZINC001455567668 1066411703 /nfs/dbraw/zinc/41/17/03/1066411703.db2.gz GDIFNOYGXVSXQY-UHFFFAOYSA-N -1 0 451.573 4.644 20 0 JJADRM Cc1nc(C2CCN(C(=O)c3ccsc3NC(=O)c3ccc(Cl)cc3[O-])CC2)[nH]c1C ZINC001455866728 1066442678 /nfs/dbraw/zinc/44/26/78/1066442678.db2.gz PCJNLKUJXPCTMT-UHFFFAOYSA-N -1 0 458.971 4.719 20 0 JJADRM CCn1c(=O)c2ccc(C(=O)N(CCc3ccccc3)c3ccc(OC)cc3)cc2[n-]c1=S ZINC001444319592 1066447869 /nfs/dbraw/zinc/44/78/69/1066447869.db2.gz FJFPHTIQCCQTCZ-UHFFFAOYSA-N -1 0 459.571 4.603 20 0 JJADRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)NC[C@@]2(C)CCOC3(CCC3)C2)c1 ZINC001455916533 1066450512 /nfs/dbraw/zinc/45/05/12/1066450512.db2.gz KRWPATZNYSQCQI-DEOSSOPVSA-N -1 0 456.608 4.573 20 0 JJADRM Cc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(C(C)(C)C)cc3)cc2)s1 ZINC001455935912 1066455269 /nfs/dbraw/zinc/45/52/69/1066455269.db2.gz YDECLAOURVDGRW-VGOFMYFVSA-N -1 0 456.593 4.597 20 0 JJADRM CN(C1CCCCC1)S(=O)(=O)c1cccc(NC(=O)c2cc(Cl)cc(Cl)c2[O-])c1 ZINC001444418684 1066460589 /nfs/dbraw/zinc/46/05/89/1066460589.db2.gz PZOHNWFDHALDPW-UHFFFAOYSA-N -1 0 457.379 4.905 20 0 JJADRM CCCN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-])[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC001444516344 1066472582 /nfs/dbraw/zinc/47/25/82/1066472582.db2.gz SKMJFORERDBMJB-ZDUSSCGKSA-N -1 0 459.395 4.563 20 0 JJADRM CO[C@@H](CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(C)(C)C ZINC001444707951 1066495763 /nfs/dbraw/zinc/49/57/63/1066495763.db2.gz OYRNTVIPGRXEII-SFHVURJKSA-N -1 0 459.395 4.585 20 0 JJADRM O=C([N-]c1nnc(Cc2ccc(F)cc2)s1)c1cc(-c2ccc(Br)cc2)no1 ZINC001456120305 1066514052 /nfs/dbraw/zinc/51/40/52/1066514052.db2.gz IBEXCTFOEJLOBA-UHFFFAOYSA-N -1 0 459.300 4.938 20 0 JJADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N(C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C)n2)c1 ZINC001444928821 1066518762 /nfs/dbraw/zinc/51/87/62/1066518762.db2.gz CQVNHEPTDWAYGZ-HXUWFJFHSA-N -1 0 458.603 4.713 20 0 JJADRM CCO[C@H]1C[C@H](NC(=O)c2nn(-c3ccc(Cl)cc3C(F)(F)F)cc2[O-])C1(CC)CC ZINC001444959060 1066522853 /nfs/dbraw/zinc/52/28/53/1066522853.db2.gz PNXOTYMHVKXROO-IRXDYDNUSA-N -1 0 459.896 4.964 20 0 JJADRM C[C@@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c2nccs2)c1)c1ccc(C(F)(F)F)cc1 ZINC001445076069 1066536159 /nfs/dbraw/zinc/53/61/59/1066536159.db2.gz CJNNJVUPVKGHHZ-GFCCVEGCSA-N -1 0 455.483 4.705 20 0 JJADRM CCO[C@@H]1C[C@H](NC(=O)c2nn(-c3ccc(Cl)cc3C(F)(F)F)cc2[O-])C12CCCC2 ZINC001445142699 1066540544 /nfs/dbraw/zinc/54/05/44/1066540544.db2.gz YCCSAQCFQBKXET-DLBZAZTESA-N -1 0 457.880 4.718 20 0 JJADRM CCO[C@H]1C[C@@H](NC(=O)c2nn(-c3ccc(Cl)cc3C(F)(F)F)cc2[O-])C12CCCC2 ZINC001445142733 1066540825 /nfs/dbraw/zinc/54/08/25/1066540825.db2.gz YCCSAQCFQBKXET-SJORKVTESA-N -1 0 457.880 4.718 20 0 JJADRM C[C@@H](Cc1ccsc1)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC001445235473 1066548521 /nfs/dbraw/zinc/54/85/21/1066548521.db2.gz ASQOVHDCGXXDBL-ZDUSSCGKSA-N -1 0 455.026 4.967 20 0 JJADRM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1[O-] ZINC001445319096 1066556460 /nfs/dbraw/zinc/55/64/60/1066556460.db2.gz APCVPBYBFVFMRV-LIRRHRJNSA-N -1 0 450.988 4.791 20 0 JJADRM O=C(NC1CCC2(CCOCC2)CC1)c1nn(-c2ccc(Cl)cc2C(F)(F)F)cc1[O-] ZINC001445363613 1066562742 /nfs/dbraw/zinc/56/27/42/1066562742.db2.gz YPIZKLUUYUURJA-UHFFFAOYSA-N -1 0 457.880 4.719 20 0 JJADRM CCO[C@H](CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C)ccc1C)C1CCCC1 ZINC001445412331 1066568369 /nfs/dbraw/zinc/56/83/69/1066568369.db2.gz ZJQCBTDHRLKIIK-HSZRJFAPSA-N -1 0 458.624 4.819 20 0 JJADRM O=C(Nc1ccnc(N2CCCCC2)c1)c1cc(Br)c([O-])c(Br)c1 ZINC001456464359 1066592346 /nfs/dbraw/zinc/59/23/46/1066592346.db2.gz WSQRWWYFBACELT-UHFFFAOYSA-N -1 0 455.150 4.555 20 0 JJADRM CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)c2cc(Br)cc(F)c2[O-])cc1 ZINC001445707743 1066607528 /nfs/dbraw/zinc/60/75/28/1066607528.db2.gz XAMYHADVLPVEGQ-GFCCVEGCSA-N -1 0 452.324 4.659 20 0 JJADRM O=C(c1cc(Br)cc(F)c1[O-])N1CCC[C@H]1Cc1ccc(Br)cc1 ZINC001456529491 1066614335 /nfs/dbraw/zinc/61/43/35/1066614335.db2.gz KFTIBNLXIFHUAF-AWEZNQCLSA-N -1 0 457.137 4.904 20 0 JJADRM CCOc1cc(Cl)ccc1NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1O ZINC001445942948 1066638123 /nfs/dbraw/zinc/63/81/23/1066638123.db2.gz YXFPLLJXPYXOSC-UHFFFAOYSA-N -1 0 452.941 4.559 20 0 JJADRM O=C(Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1)N(Cc1ccccc1F)C1CCC1 ZINC001446063725 1066653955 /nfs/dbraw/zinc/65/39/55/1066653955.db2.gz YFGGDIAPVWGIKB-UHFFFAOYSA-N -1 0 458.580 4.812 20 0 JJADRM O=C(c1cccc(I)c1[O-])N(CCc1cccc(F)c1)C1CCCC1 ZINC001446143902 1066665269 /nfs/dbraw/zinc/66/52/69/1066665269.db2.gz VIEAGDLAZRIGJX-UHFFFAOYSA-N -1 0 453.295 4.763 20 0 JJADRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC001446232820 1066675766 /nfs/dbraw/zinc/67/57/66/1066675766.db2.gz PLIDSFKVSWSIBB-UHFFFAOYSA-N -1 0 455.294 4.891 20 0 JJADRM C[C@@H](NC(=O)C[C@H](C)C(=O)c1ccccc1)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC001446271471 1066682558 /nfs/dbraw/zinc/68/25/58/1066682558.db2.gz HNEPPYQSBKTCOW-DLBZAZTESA-N -1 0 456.589 4.635 20 0 JJADRM COc1cccc([C@H](C)CC(=O)N[C@@H](C)c2ccccc2[N-]S(=O)(=O)c2cccs2)c1 ZINC001446273982 1066683151 /nfs/dbraw/zinc/68/31/51/1066683151.db2.gz MZHUZTRAFPVFNA-SJORKVTESA-N -1 0 458.605 4.929 20 0 JJADRM COc1ccccc1/C(C)=C\C(=O)N[C@H](C)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC001446276433 1066683857 /nfs/dbraw/zinc/68/38/57/1066683857.db2.gz QSUKPUXOJVTCJT-FUYCXPICSA-N -1 0 456.589 4.838 20 0 JJADRM C[C@H](NC(=O)C[C@@H]1C[C@H]1Cc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC001446278880 1066684446 /nfs/dbraw/zinc/68/44/46/1066684446.db2.gz USHWONLXXPHJJB-SXLOBPIMSA-N -1 0 454.617 4.995 20 0 JJADRM O=C(NCC1(c2cccc(Br)c2)CCCC1)c1nn(-c2cccc(F)c2)cc1[O-] ZINC001446366384 1066696975 /nfs/dbraw/zinc/69/69/75/1066696975.db2.gz RNLBOTOZJKRVKR-UHFFFAOYSA-N -1 0 458.331 4.721 20 0 JJADRM CC(C)Oc1ccc(Br)cc1NC(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC001446387171 1066700332 /nfs/dbraw/zinc/70/03/32/1066700332.db2.gz XDCDIYPKCSSGET-UHFFFAOYSA-N -1 0 452.255 4.658 20 0 JJADRM CCS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H](Oc2ccc(Cl)cc2C)c2ccccc2)c1 ZINC001446526037 1066715450 /nfs/dbraw/zinc/71/54/50/1066715450.db2.gz NZKZWJBJXWVEJR-JOCHJYFZSA-N -1 0 459.951 4.906 20 0 JJADRM O=C(N[C@@H](C(=O)[N-]OCc1ccc(C(F)(F)F)cc1)c1ccccc1)OCc1ccccc1 ZINC001446584226 1066723471 /nfs/dbraw/zinc/72/34/71/1066723471.db2.gz PETXRBHWMYVWKA-OAQYLSRUSA-N -1 0 458.436 4.921 20 0 JJADRM O=C(Nc1cc(F)c(N2CCCCC2)c(F)c1)c1cccc(I)c1[O-] ZINC001446860440 1066749373 /nfs/dbraw/zinc/74/93/73/1066749373.db2.gz HRVRVOPWZJYADS-UHFFFAOYSA-N -1 0 458.246 4.518 20 0 JJADRM CC(=O)c1ccc([O-])c(NC(=O)c2cnn(-c3ncc(Cl)cc3Cl)c2C(F)(F)F)c1 ZINC001447020054 1066766789 /nfs/dbraw/zinc/76/67/89/1066766789.db2.gz FJFRWRBCGOTKSJ-UHFFFAOYSA-N -1 0 459.211 4.753 20 0 JJADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)NC[C@@H]2C[C@@H]2Cc2ccccc2)ccc1F ZINC001457202727 1066788232 /nfs/dbraw/zinc/78/82/32/1066788232.db2.gz XIGRMMJZGIHFDE-PMACEKPBSA-N -1 0 452.551 4.544 20 0 JJADRM O=C(NC[C@@H]1C[C@@H]1Cc1ccccc1)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC001457208162 1066790312 /nfs/dbraw/zinc/79/03/12/1066790312.db2.gz LFACVIRXSUADIL-OALUTQOASA-N -1 0 454.979 4.749 20 0 JJADRM CC(C)NS(=O)(=O)c1cc(C(=O)Nc2ccc3[nH]c(C4CCCCC4)nc3c2)ccc1F ZINC001457278798 1066802717 /nfs/dbraw/zinc/80/27/17/1066802717.db2.gz ZZLWUIKVEVUVKW-UHFFFAOYSA-N -1 0 458.559 4.689 20 0 JJADRM Cc1ccccc1Sc1ccc(C(=O)N[C@H](c2nnn[n-]2)c2ccc(Cl)c(F)c2)cc1 ZINC001447460331 1066812216 /nfs/dbraw/zinc/81/22/16/1066812216.db2.gz YZSNZYQISMQDME-FQEVSTJZSA-N -1 0 453.930 4.971 20 0 JJADRM O=C(N[C@H](CC(F)(F)F)c1cccc(C(F)(F)F)c1)c1ncc(Br)cc1[O-] ZINC001447490710 1066815186 /nfs/dbraw/zinc/81/51/86/1066815186.db2.gz VGSYUGAJJUKSNK-LLVKDONJSA-N -1 0 457.168 4.992 20 0 JJADRM CCn1c(SCC(=O)[N-]OCc2ccc(F)cc2)nnc1-c1ccc(Cl)cc1Cl ZINC001447552488 1066821033 /nfs/dbraw/zinc/82/10/33/1066821033.db2.gz CTZISDIKADZPOO-UHFFFAOYSA-N -1 0 455.342 4.751 20 0 JJADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)N(C)c2ccc(OC(C)C)cc2)ccc1F ZINC001447692903 1066843464 /nfs/dbraw/zinc/84/34/64/1066843464.db2.gz MABNQLLTHKEJDO-UHFFFAOYSA-N -1 0 456.539 4.999 20 0 JJADRM O=C(Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)[C@@H]1CCO[C@H]1C1CC1 ZINC001457501122 1066844031 /nfs/dbraw/zinc/84/40/31/1066844031.db2.gz ACFWJERSMSZNDA-APWZRJJASA-N -1 0 455.363 4.548 20 0 JJADRM O=C(Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)[C@@H]1C[C@H]1C(F)(F)F ZINC001457503676 1066844609 /nfs/dbraw/zinc/84/46/09/1066844609.db2.gz NVGMTCMUHKJCCO-CHWSQXEVSA-N -1 0 453.269 4.931 20 0 JJADRM Cc1ccc([C@H](CN2CCOCC2)NC(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])cc1 ZINC001457517147 1066848815 /nfs/dbraw/zinc/84/88/15/1066848815.db2.gz HTAFTYLBWAUPRH-DEOSSOPVSA-N -1 0 450.966 4.824 20 0 JJADRM COc1cccc(S([O-])=CC(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c1 ZINC001447754533 1066853749 /nfs/dbraw/zinc/85/37/49/1066853749.db2.gz WQYPHOHHXUIDNB-JTBPQFFMSA-N -1 0 453.404 4.632 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCCC[C@@H]2C)ccc1Cl ZINC001457603664 1066875936 /nfs/dbraw/zinc/87/59/36/1066875936.db2.gz SIXYPBVHOIPYSP-RDJZCZTQSA-N -1 0 450.988 4.706 20 0 JJADRM Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4nc(Br)ccc4O)cc3)o2)c1 ZINC001447924265 1066877580 /nfs/dbraw/zinc/87/75/80/1066877580.db2.gz FNQZWAKNCXVXMY-UHFFFAOYSA-N -1 0 451.280 4.827 20 0 JJADRM Cc1cccc(C)c1OCCNC(=O)c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1[O-] ZINC001457611418 1066878543 /nfs/dbraw/zinc/87/85/43/1066878543.db2.gz PVLGIBBFJYQVBR-UHFFFAOYSA-N -1 0 454.741 4.964 20 0 JJADRM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCC(c3ccsc3)CC2)cc1 ZINC001447940096 1066878811 /nfs/dbraw/zinc/87/88/11/1066878811.db2.gz PEUJEVZFMQFNLG-UHFFFAOYSA-N -1 0 456.589 4.577 20 0 JJADRM CC(C)[C@@H](CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)Cc1ccccc1 ZINC001447949400 1066880432 /nfs/dbraw/zinc/88/04/32/1066880432.db2.gz AVZVYAJFVOGCTM-HXUWFJFHSA-N -1 0 454.567 4.871 20 0 JJADRM CC[C@@H](C)n1nc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3OC)c2)cc1C ZINC001457722803 1066904764 /nfs/dbraw/zinc/90/47/64/1066904764.db2.gz QLZXDBPHRKGICQ-MRXNPFEDSA-N -1 0 456.568 4.533 20 0 JJADRM Cc1ccc(-c2nc(SCC(=O)Nc3cc(Br)cc(Cl)c3[O-])n[nH]2)cc1 ZINC001457731872 1066906308 /nfs/dbraw/zinc/90/63/08/1066906308.db2.gz BPOGSEXAEYRWDF-UHFFFAOYSA-N -1 0 453.749 4.632 20 0 JJADRM O=C(c1nn(-c2c(Cl)cc(Cl)cc2Cl)cc1[O-])N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC001457734636 1066906531 /nfs/dbraw/zinc/90/65/31/1066906531.db2.gz YUUASTCETBTQIJ-OLZOCXBDSA-N -1 0 458.773 4.817 20 0 JJADRM O=C(Nc1ncn(C2CCCCC2)n1)c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1[O-] ZINC001457743693 1066909031 /nfs/dbraw/zinc/90/90/31/1066909031.db2.gz QUISFLQBDPRBCP-UHFFFAOYSA-N -1 0 455.733 4.887 20 0 JJADRM O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1 ZINC001457746664 1066909788 /nfs/dbraw/zinc/90/97/88/1066909788.db2.gz QOEMTSCIDDTZMS-UHFFFAOYSA-N -1 0 455.845 4.807 20 0 JJADRM CC[C@H](CN(C)C(=O)c1ccc2c(=O)[nH]c(=S)[n-]c2c1)Oc1ccc(Cl)c(Cl)c1 ZINC001457745903 1066909806 /nfs/dbraw/zinc/90/98/06/1066909806.db2.gz QXZKKYSEWACCJB-GFCCVEGCSA-N -1 0 452.363 4.861 20 0 JJADRM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)CCc1ccc(OC)c(Cl)c1 ZINC001457790768 1066921847 /nfs/dbraw/zinc/92/18/47/1066921847.db2.gz ZJQVAVPTRPLOKL-FQEVSTJZSA-N -1 0 455.986 4.521 20 0 JJADRM O=Cc1ccc(-c2ccc(C(=O)N[C@@H](CO)c3ccc(Cl)cc3C(F)(F)F)c([O-])c2)o1 ZINC001448430270 1066926381 /nfs/dbraw/zinc/92/63/81/1066926381.db2.gz NXLUEXQEHBJBTG-KRWDZBQOSA-N -1 0 453.800 4.600 20 0 JJADRM O=C(c1cc(F)c([O-])c(F)c1)N1CCN(c2cccc(OCc3ccccc3Cl)c2)CC1 ZINC001457822244 1066928527 /nfs/dbraw/zinc/92/85/27/1066928527.db2.gz QHZHLCRMTLGEFO-UHFFFAOYSA-N -1 0 458.892 4.865 20 0 JJADRM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H]3CS[C@@H](C)C3)c(Cl)cc2Cl)c1 ZINC001457860279 1066932686 /nfs/dbraw/zinc/93/26/86/1066932686.db2.gz JNKWCMIFQGPCAQ-JSGCOSHPSA-N -1 0 459.420 4.726 20 0 JJADRM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@@H]3C[C@H]3C3CCC3)ccc2Cl)cc1 ZINC001457871915 1066934089 /nfs/dbraw/zinc/93/40/89/1066934089.db2.gz GMCHLGFJVYQJCN-PXNSSMCTSA-N -1 0 462.999 4.706 20 0 JJADRM CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(C(=O)c1cc(Cl)cc(Br)c1[O-])C2 ZINC001457925161 1066942229 /nfs/dbraw/zinc/94/22/29/1066942229.db2.gz CVTYSIOWCCVRAJ-YUNKPMOVSA-N -1 0 473.795 4.575 20 0 JJADRM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](CC)C3CCC(C)CC3)cc2)s1 ZINC001448944486 1066972788 /nfs/dbraw/zinc/97/27/88/1066972788.db2.gz UVIREDKMKHYXCO-JMLCCBQJSA-N -1 0 450.630 4.692 20 0 JJADRM Cn1ncc(NC(=O)c2cc(Br)c([O-])c(Br)c2)c1-c1ccccc1 ZINC001449221919 1066990416 /nfs/dbraw/zinc/99/04/16/1066990416.db2.gz ONOARKOAWNIDRT-UHFFFAOYSA-N -1 0 451.118 4.570 20 0 JJADRM O=C(Nc1nc(-c2cccnc2)cs1)c1cc(Br)c([O-])c(Br)c1 ZINC001449268085 1066994699 /nfs/dbraw/zinc/99/46/99/1066994699.db2.gz DSQRHPSZNLHLET-UHFFFAOYSA-N -1 0 455.131 4.688 20 0 JJADRM O=C(Nc1ccc2c(c1)N(CC(F)F)CCS2)c1ccc(C(=O)OCc2ccccc2)[nH]1 ZINC001449411439 1067008581 /nfs/dbraw/zinc/00/85/81/1067008581.db2.gz ZTHPASDCIQEZCN-UHFFFAOYSA-N -1 0 457.502 4.801 20 0 JJADRM COc1nccc2cc(NC(=O)c3cc(Br)c([O-])c(Br)c3)ccc21 ZINC001449890790 1067034411 /nfs/dbraw/zinc/03/44/11/1067034411.db2.gz PVFFTKKSHSJEAD-UHFFFAOYSA-N -1 0 452.102 4.726 20 0 JJADRM CN(C[C@H]1OCCc2ccccc21)C(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC001449907271 1067036393 /nfs/dbraw/zinc/03/63/93/1067036393.db2.gz XGXURXVMFLSSBT-HXUWFJFHSA-N -1 0 456.951 4.745 20 0 JJADRM O=C(c1cccc(I)c1[O-])N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC001450160285 1067056649 /nfs/dbraw/zinc/05/66/49/1067056649.db2.gz SOUSEFZYWWRMKD-ZDUSSCGKSA-N -1 0 459.736 4.657 20 0 JJADRM COc1ccc(-c2nnc([N-]C(=O)c3cc(-c4ccc(Br)cc4)no3)s2)cc1 ZINC001458422365 1067057112 /nfs/dbraw/zinc/05/71/12/1067057112.db2.gz UKTHJYVRAJFXBW-UHFFFAOYSA-N -1 0 457.309 4.884 20 0 JJADRM CSCC1CCC(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)c(C)c2)CC1 ZINC001450199706 1067059229 /nfs/dbraw/zinc/05/92/29/1067059229.db2.gz WHLGUHHJIUVYSC-UHFFFAOYSA-N -1 0 450.601 4.587 20 0 JJADRM CCC(=O)c1ccc([O-])c(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)c1 ZINC001450217583 1067060837 /nfs/dbraw/zinc/06/08/37/1067060837.db2.gz MGCNJXQPOXKYLL-UHFFFAOYSA-N -1 0 452.532 4.655 20 0 JJADRM O=C(CCCCCn1c(=O)c2ccccc2[n-]c1=S)N[C@H]1CCCc2c(F)cc(F)cc21 ZINC001450360022 1067073279 /nfs/dbraw/zinc/07/32/79/1067073279.db2.gz IUBDZCROKMVRTI-NRFANRHFSA-N -1 0 457.546 4.718 20 0 JJADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCc4c(F)ccc(Br)c4C3)n2)c1 ZINC001450489867 1067085355 /nfs/dbraw/zinc/08/53/55/1067085355.db2.gz UYOKIHRILWUVCN-UHFFFAOYSA-N -1 0 458.331 4.801 20 0 JJADRM CCOc1cc(Br)c(F)cc1NC(=O)c1nn(-c2cc(C)ccc2F)cc1[O-] ZINC001450666008 1067099788 /nfs/dbraw/zinc/09/97/88/1067099788.db2.gz CLQXUFNJBSWXFS-UHFFFAOYSA-N -1 0 452.255 4.578 20 0 JJADRM Cc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)N[C@H](C)CCOCc2ccccc2)cc1 ZINC001450803409 1067123388 /nfs/dbraw/zinc/12/33/88/1067123388.db2.gz XHOCVPAIIJBIIB-GOSISDBHSA-N -1 0 458.605 4.583 20 0 JJADRM CN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)Nc1ccc(F)c(F)c1[O-] ZINC001450993532 1067138695 /nfs/dbraw/zinc/13/86/95/1067138695.db2.gz SFTOXSRHPSAJRQ-UHFFFAOYSA-N -1 0 451.223 4.555 20 0 JJADRM C[C@H](CC(C)(C)C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC001451039978 1067141888 /nfs/dbraw/zinc/14/18/88/1067141888.db2.gz NQJHMPDJLUKFTB-GFCCVEGCSA-N -1 0 459.431 4.866 20 0 JJADRM C[C@@H](CC(C)(C)C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC001451039984 1067142001 /nfs/dbraw/zinc/14/20/01/1067142001.db2.gz NQJHMPDJLUKFTB-LBPRGKRZSA-N -1 0 459.431 4.866 20 0 JJADRM C[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1)C1CCCC1 ZINC001451308668 1067158402 /nfs/dbraw/zinc/15/84/02/1067158402.db2.gz GHAIVBGLAPNEIG-LBPRGKRZSA-N -1 0 457.415 4.620 20 0 JJADRM O=C(NCC1(c2c(F)cccc2F)CCC1)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC001451540204 1067177923 /nfs/dbraw/zinc/17/79/23/1067177923.db2.gz VUXCYQLVCFOILP-UHFFFAOYSA-N -1 0 451.395 4.727 20 0 JJADRM CCc1c([O-])nc(SCc2ccc(SC(=O)N(C)C)cc2)n(-c2ccccc2C)c1=O ZINC001458941856 1067203843 /nfs/dbraw/zinc/20/38/43/1067203843.db2.gz BSVSOJUVEXXQCN-UHFFFAOYSA-N -1 0 455.605 4.875 20 0 JJADRM O=C([N-][C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2ccc(NCc3ccsc3)cc2)C1)C(F)(F)F ZINC001452357776 1067220893 /nfs/dbraw/zinc/22/08/93/1067220893.db2.gz NPGNNYNKWLNGKN-CVEARBPZSA-N -1 0 479.446 4.574 20 0 JJADRM O=C(c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1)N1CCC[C@H](c2cccnc2)C1 ZINC001452387544 1067221513 /nfs/dbraw/zinc/22/15/13/1067221513.db2.gz PUMOIYCFAORDGJ-SFHVURJKSA-N -1 0 455.967 4.556 20 0 JJADRM CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2C)c1)[C@@H]1CCCCO1 ZINC001452630020 1067238692 /nfs/dbraw/zinc/23/86/92/1067238692.db2.gz GFNDJWLCZXWXGG-ICSRJNTNSA-N -1 0 450.988 4.527 20 0 JJADRM C[C@@H](NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC001452958211 1067267693 /nfs/dbraw/zinc/26/76/93/1067267693.db2.gz MQWMPOWKSVSJLQ-IAGOWNOFSA-N -1 0 459.571 4.853 20 0 JJADRM O=C([N-][C@H]1CN(C(=O)c2nc3ccccc3cc2Cl)CC[C@H]1c1ccc(F)cc1)C(F)(F)F ZINC001453129213 1067281962 /nfs/dbraw/zinc/28/19/62/1067281962.db2.gz MSJQIZWDVCPPQN-LPHOPBHVSA-N -1 0 479.861 4.704 20 0 JJADRM Cc1ccc2[nH]c(C(=O)N3CC[C@@H](c4ccc(F)cc4)[C@@H]([N-]C(=O)C(F)(F)F)C3)c(Cl)c2c1 ZINC001453135276 1067283291 /nfs/dbraw/zinc/28/32/91/1067283291.db2.gz YQVBKZJKPTYKGB-YJBOKZPZSA-N -1 0 481.877 4.946 20 0 JJADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCC(Cc3nc(C(C)(C)C)cs3)CC2)n1 ZINC001453264806 1067292402 /nfs/dbraw/zinc/29/24/02/1067292402.db2.gz UMGAFCIEQHEFRW-UHFFFAOYSA-N -1 0 456.587 4.874 20 0 JJADRM CC(C)(C)OC(=O)N1CCO[C@@H](c2ccc(NC(=O)c3cc(F)c([O-])c(Cl)c3)cc2)C1 ZINC001453402528 1067304590 /nfs/dbraw/zinc/30/45/90/1067304590.db2.gz OZHNSKRWQWQXJL-GOSISDBHSA-N -1 0 450.894 4.745 20 0 JJADRM O=C(NC[C@@H]1C[C@H](c2ccccc2)CO1)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC001453514316 1067310368 /nfs/dbraw/zinc/31/03/68/1067310368.db2.gz ZGULRQPUUGOKMW-RDJZCZTQSA-N -1 0 456.951 4.662 20 0 JJADRM CC[C@@H](Oc1ccccc1Cl)C(=O)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC001453680373 1067321700 /nfs/dbraw/zinc/32/17/00/1067321700.db2.gz JAIIOVLPORTLBF-BHIYHBOVSA-N -1 0 468.903 4.561 20 0 JJADRM O=C([N-][C@@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2F)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001453685514 1067322401 /nfs/dbraw/zinc/32/24/01/1067322401.db2.gz RZWSXHBVSWBYGS-CZUORRHYSA-N -1 0 463.258 4.809 20 0 JJADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@@H]2CCCCc3cc(Br)ccc32)n1 ZINC001453767887 1067328031 /nfs/dbraw/zinc/32/80/31/1067328031.db2.gz IHLMBHWYDRFNQC-GOSISDBHSA-N -1 0 458.331 4.985 20 0 JJADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@H]2CCCCc3cc(Br)ccc32)n1 ZINC001453767888 1067328203 /nfs/dbraw/zinc/32/82/03/1067328203.db2.gz IHLMBHWYDRFNQC-SFHVURJKSA-N -1 0 458.331 4.985 20 0 JJADRM O=C([N-]Cc1cc(F)c(F)cc1Br)C(F)(F)c1ccc(Br)cc1 ZINC001459902963 1067480823 /nfs/dbraw/zinc/48/08/23/1067480823.db2.gz ZSUUFDFMXHLUBR-UHFFFAOYSA-N -1 0 455.043 4.898 20 0 JJADRM O=C([N-]c1nnc(-c2cccc(OC(F)(F)F)c2)s1)c1ncsc1Br ZINC001459932577 1067496974 /nfs/dbraw/zinc/49/69/74/1067496974.db2.gz DKBQZIRGSOQHNH-UHFFFAOYSA-N -1 0 451.249 4.575 20 0 JJADRM COc1ccc([C@@H]2CCN(Cc3ccc(F)cc3Cl)C[C@@H]2[N-]C(=O)C(F)(F)F)cc1F ZINC001460358852 1067617263 /nfs/dbraw/zinc/61/72/63/1067617263.db2.gz FGNTYVGFRQFORO-YJBOKZPZSA-N -1 0 462.846 4.663 20 0 JJADRM COc1ccc([C@@H]2CCN([C@@H](C)c3c(F)cccc3F)C[C@@H]2[N-]C(=O)C(F)(F)F)cc1F ZINC001460358914 1067617762 /nfs/dbraw/zinc/61/77/62/1067617762.db2.gz FGTGLVNGXNVMGJ-YEWDVWPNSA-N -1 0 460.418 4.710 20 0 JJADRM Cc1ccccc1-c1noc([C@@H](C)N2CC[C@@H](c3cccc(F)c3)[C@@H]([N-]C(=O)C(F)(F)F)C2)n1 ZINC001460362142 1067618585 /nfs/dbraw/zinc/61/85/85/1067618585.db2.gz JETZBQXYKJYPDP-XPGWFJOJSA-N -1 0 476.474 4.782 20 0 JJADRM Cc1cc(NC(=O)c2cc3ccccc3cc2[N-]S(C)(=O)=O)c(F)cc1Br ZINC001460682668 1067700098 /nfs/dbraw/zinc/70/00/98/1067700098.db2.gz KYJDSEUCOQEIHE-UHFFFAOYSA-N -1 0 451.317 4.674 20 0 JJADRM Cc1cc(OCC(=O)N2CC[C@@H](c3cccc(F)c3)[C@@H]([N-]C(=O)C(F)(F)F)C2)ccc1C(C)C ZINC001461418318 1067851378 /nfs/dbraw/zinc/85/13/78/1067851378.db2.gz JENLMPLAYOKNCH-VXKWHMMOSA-N -1 0 480.502 4.700 20 0 JJADRM O=C(Nc1ccccc1)c1ccc(C(=O)Nc2cc(F)cc(C[N-]C(=O)C(F)(F)F)c2)cc1 ZINC001462011915 1067979986 /nfs/dbraw/zinc/97/99/86/1067979986.db2.gz UGSZPTYGYQOIMR-UHFFFAOYSA-N -1 0 459.399 4.509 20 0 JJADRM COc1ccccc1[C@H]1CCCN(C(=O)c2cc3ccccc3cc2[N-]S(C)(=O)=O)CC1 ZINC001462386290 1068063704 /nfs/dbraw/zinc/06/37/04/1068063704.db2.gz IAWDZJDMJSQLRG-SFHVURJKSA-N -1 0 452.576 4.630 20 0 JJADRM Cc1cc(Br)c(CN2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)cc1Br ZINC001462385532 1068063966 /nfs/dbraw/zinc/06/39/66/1068063966.db2.gz XZQWJMOEOGOFFD-HZMBPMFUSA-N -1 0 472.143 4.551 20 0 JJADRM COc1cc(-c2ccccc2)ccc1CN1C[C@@H]([N-]C(=O)C(F)(F)F)CC[C@H]1C(F)(F)F ZINC001462595770 1068108228 /nfs/dbraw/zinc/10/82/28/1068108228.db2.gz VZFFOWWWJOINRH-HKUYNNGSSA-N -1 0 460.418 4.936 20 0 JJADRM O=S(=O)([N-][C@@H](C1CCCCC1)C(F)(F)F)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC001463487931 1068417002 /nfs/dbraw/zinc/41/70/02/1068417002.db2.gz CMVWYOVBSFMUAH-UGSOOPFHSA-N -1 0 455.926 4.545 20 0 JJADRM CC/C(C)=C\C(=O)Nc1ccc(N2CCCCC2)c(S(=O)(=O)[N-]c2ccccc2OC)c1 ZINC001463539406 1068433796 /nfs/dbraw/zinc/43/37/96/1068433796.db2.gz HIYZRKATALIQCZ-VLGSPTGOSA-N -1 0 457.596 4.781 20 0 JJADRM O=S(=O)([N-][C@@H](c1cc(F)cc(Br)c1)C1CC1)c1c(F)c(F)cc(F)c1F ZINC001463571157 1068451166 /nfs/dbraw/zinc/45/11/66/1068451166.db2.gz XFUSAOYAVCXKKY-OAHLLOKOSA-N -1 0 456.230 4.574 20 0 JJADRM O=C(c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC001463590927 1068458896 /nfs/dbraw/zinc/45/88/96/1068458896.db2.gz ANRBLFSNKGWTJT-NVXWUHKLSA-N -1 0 450.963 4.932 20 0 JJADRM O=C(c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001463590925 1068458973 /nfs/dbraw/zinc/45/89/73/1068458973.db2.gz ANRBLFSNKGWTJT-DOTOQJQBSA-N -1 0 450.963 4.932 20 0 JJADRM O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ncc2ccccc2c1[O-] ZINC001463623135 1068470699 /nfs/dbraw/zinc/47/06/99/1068470699.db2.gz BLDDLSZQDXVWHA-UHFFFAOYSA-N -1 0 453.907 4.647 20 0 JJADRM Cc1cc(C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC001463651341 1068481429 /nfs/dbraw/zinc/48/14/29/1068481429.db2.gz QWCWALWRWLAQGJ-UHFFFAOYSA-N -1 0 455.285 4.836 20 0 JJADRM COc1ccc(NC(=O)c2cccc3[nH]ccc32)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC001463700106 1068498521 /nfs/dbraw/zinc/49/85/21/1068498521.db2.gz PBXODGDXVPKWRM-UHFFFAOYSA-N -1 0 455.923 4.883 20 0 JJADRM C[C@@H](NC(=O)c1cccc(I)c1[O-])C(c1ccccc1)c1ccccc1 ZINC001463811210 1068533456 /nfs/dbraw/zinc/53/34/56/1068533456.db2.gz YVUCIKWDMMCRDM-OAHLLOKOSA-N -1 0 457.311 4.947 20 0 JJADRM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CCCc3ccccn3)ccc2Cl)cc1 ZINC001463842768 1068545420 /nfs/dbraw/zinc/54/54/20/1068545420.db2.gz GXRHMSNFYHWRPG-UHFFFAOYSA-N -1 0 459.955 4.506 20 0 JJADRM CC1(C)[C@@H](C[N-]S(=O)(=O)c2scc(Br)c2Br)[C@@H]1c1ccccc1 ZINC001463844929 1068545821 /nfs/dbraw/zinc/54/58/21/1068545821.db2.gz SIORQPLJHAXIGD-AAEUAGOBSA-N -1 0 479.259 4.991 20 0 JJADRM CC(C)Cc1ccc([C@@H](NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2[O-])C(C)C)cc1 ZINC001463963386 1068576585 /nfs/dbraw/zinc/57/65/85/1068576585.db2.gz SBCJBARBZALKHS-DEOSSOPVSA-N -1 0 458.624 4.502 20 0 JJADRM C[C@H]1CCC[C@@H](OCC(=O)Nc2cc(Cl)ccc2[N-]S(=O)(=O)c2ccccc2F)C1 ZINC001464086212 1068609690 /nfs/dbraw/zinc/60/96/90/1068609690.db2.gz CPQSKEVVBFFICT-GOEBONIOSA-N -1 0 454.951 4.814 20 0 JJADRM O=C(Cc1ccc(F)cc1F)Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1F ZINC001464089176 1068610867 /nfs/dbraw/zinc/61/08/67/1068610867.db2.gz SBNRDKBDGAPZTI-UHFFFAOYSA-N -1 0 454.857 4.739 20 0 JJADRM CC[C@@H](Cc1cn(C)c2ccccc12)[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC001464203763 1068655564 /nfs/dbraw/zinc/65/55/64/1068655564.db2.gz PHPOSYZHDBGRBH-ZDUSSCGKSA-N -1 0 457.340 4.519 20 0 JJADRM CCCOc1ccc([C@@H](C)NC(=O)c2cnc3ccc(Br)cc3c2O)cc1OC ZINC001464207928 1068658132 /nfs/dbraw/zinc/65/81/32/1068658132.db2.gz BFKDSQWGMVTUBF-CYBMUJFWSA-N -1 0 459.340 4.579 20 0 JJADRM CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)c2cnc(I)c([O-])c2)cc1 ZINC001464279651 1068687879 /nfs/dbraw/zinc/68/78/79/1068687879.db2.gz JNLNCCNKXYGAPD-INIZCTEOSA-N -1 0 450.320 4.667 20 0 JJADRM CCOc1ccc(Oc2cc(CNC(=O)c3ccc(-c4ccc(C=O)o4)cc3[O-])ccn2)cc1 ZINC001464318798 1068703705 /nfs/dbraw/zinc/70/37/05/1068703705.db2.gz GUPJEUJWHQRKDT-UHFFFAOYSA-N -1 0 458.470 4.981 20 0 JJADRM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCCC(C)(C)c2ccccc2)cc1 ZINC001464420882 1068739325 /nfs/dbraw/zinc/73/93/25/1068739325.db2.gz DXJUZQSZZZARDZ-UHFFFAOYSA-N -1 0 452.576 4.594 20 0 JJADRM C[C@@H]1CN(C(=O)c2cc(Br)c([O-])c(Br)c2)C[C@H](c2ccccc2)O1 ZINC001464423268 1068740353 /nfs/dbraw/zinc/74/03/53/1068740353.db2.gz OBYFFMBVOLIABU-BDJLRTHQSA-N -1 0 455.146 4.519 20 0 JJADRM CCOc1cc(Br)c(NC(=O)c2cccc(Br)c2[O-])cc1OCC ZINC001464441642 1068747215 /nfs/dbraw/zinc/74/72/15/1068747215.db2.gz DTPDZQBCCKVXCQ-UHFFFAOYSA-N -1 0 459.134 4.967 20 0 JJADRM CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2nccs2)cc1)[C@@H](C)c1cc2ccccc2o1 ZINC001464447782 1068749547 /nfs/dbraw/zinc/74/95/47/1068749547.db2.gz DLZQEOARQJKJOX-HNNXBMFYSA-N -1 0 455.561 4.913 20 0 JJADRM CN(C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1)c1ccc(F)c(F)c1 ZINC001464478133 1068760856 /nfs/dbraw/zinc/76/08/56/1068760856.db2.gz ZBWJJAKCKZLNEX-UHFFFAOYSA-N -1 0 454.857 4.835 20 0 JJADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccc(F)c(Cl)c2)ccc1F ZINC001464663880 1068816665 /nfs/dbraw/zinc/81/66/65/1068816665.db2.gz HMXYPEBMOGYZSA-UHFFFAOYSA-N -1 0 450.894 4.657 20 0 JJADRM C[C@@H](NC(=O)c1cc(CCc2ccccc2)ccc1O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001464675354 1068820920 /nfs/dbraw/zinc/82/09/20/1068820920.db2.gz GMQWEPMCLSPRMU-DENIHFKCSA-N -1 0 452.595 4.943 20 0 JJADRM C[C@@H](NC(=O)c1cc2sccc2c(O)c1)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC001545853629 1064263138 /nfs/dbraw/zinc/26/31/38/1064263138.db2.gz QCKRSOFPNOZUDU-CYBMUJFWSA-N -1 0 458.586 4.960 20 0 JJADRM C[C@@H](CSC(F)(F)F)C(=O)N[C@@H](C)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC001545853548 1064263157 /nfs/dbraw/zinc/26/31/57/1064263157.db2.gz OSSOAYZBGAVCRA-RYUDHWBXSA-N -1 0 452.545 4.615 20 0 JJADRM C[C@H](NC(=O)c1cc(F)c(F)c(F)c1F)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC001545853998 1064263694 /nfs/dbraw/zinc/26/36/94/1064263694.db2.gz YJEYVLVXXJJZFJ-JTQLQIEISA-N -1 0 458.458 4.596 20 0 JJADRM Cc1cc([C@H](NC(=O)CCCCCn2c(=O)c3ccccc3[n-]c2=S)C2CC2)ccc1F ZINC001545875147 1064291966 /nfs/dbraw/zinc/29/19/66/1064291966.db2.gz NDTHHRDHZPLMAB-HSZRJFAPSA-N -1 0 453.583 4.961 20 0 JJADRM Cc1cc([C@@H](NC(=O)CCCCCn2c(=O)c3ccccc3[n-]c2=S)C2CC2)ccc1F ZINC001545875148 1064292102 /nfs/dbraw/zinc/29/21/02/1064292102.db2.gz NDTHHRDHZPLMAB-QHCPKHFHSA-N -1 0 453.583 4.961 20 0 JJADRM COc1ccc2oc([C@H](C)NC(=O)c3cc4ccccc4cc3[N-]S(C)(=O)=O)c(C)c2c1 ZINC001360088325 1064953767 /nfs/dbraw/zinc/95/37/67/1064953767.db2.gz JCTBPWVEXZRONJ-HNNXBMFYSA-N -1 0 452.532 4.766 20 0 JJADRM CN(Cc1cccc(Br)c1OC[C@H]1CCCO1)C(=O)c1cccc(Cl)c1[O-] ZINC001435915138 1065061351 /nfs/dbraw/zinc/06/13/51/1065061351.db2.gz XUYKNUAOHOHFHG-CQSZACIVSA-N -1 0 454.748 4.638 20 0 JJADRM CC(C)SCCn1c(-c2ccccc2F)nnc1N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC001360418328 1065283391 /nfs/dbraw/zinc/28/33/91/1065283391.db2.gz QUWBMBHKZFYLPD-UHFFFAOYSA-N -1 0 458.588 4.573 20 0 JJADRM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(c1cccc(Br)c1)C1CCCCC1 ZINC001360455346 1065354684 /nfs/dbraw/zinc/35/46/84/1065354684.db2.gz IBUSONFNOOSMLV-UHFFFAOYSA-N -1 0 457.372 4.723 20 0 JJADRM O=C([N-]C[C@@H]1Cc2ccccc2N1C(=O)c1cc(C(F)(F)F)ccc1Cl)C(F)(F)F ZINC001436909313 1065468635 /nfs/dbraw/zinc/46/86/35/1065468635.db2.gz GLUJCBXYAFISIX-LBPRGKRZSA-N -1 0 450.766 4.609 20 0 JJADRM O=C(NCC1(c2cccc(Br)c2)CCCC1)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC001545905034 1065511328 /nfs/dbraw/zinc/51/13/28/1065511328.db2.gz NRFNIYXPTXRGKK-UHFFFAOYSA-N -1 0 458.331 4.721 20 0 JJADRM CCSCc1ccccc1C(=O)N1CC[C@@H](c2cccc(F)c2)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001437474063 1065558841 /nfs/dbraw/zinc/55/88/41/1065558841.db2.gz HNZNAPGIGDXOHK-ICSRJNTNSA-N -1 0 468.516 4.756 20 0 JJADRM Cc1cc(C)c(/C=C/C(=O)N2CC[C@@H](c3cccc(F)c3)[C@@H]([N-]C(=O)C(F)(F)F)C2)cc1C ZINC001437475867 1065559584 /nfs/dbraw/zinc/55/95/84/1065559584.db2.gz OCLCWHBXPKVQKH-KDFLPFIWSA-N -1 0 462.487 4.827 20 0 JJADRM C[C@H](CC(=O)N1CC[C@@H](c2cccc(F)c2)[C@@H]([N-]C(=O)C(F)(F)F)C1)c1ccc(F)cc1 ZINC001437477334 1065560202 /nfs/dbraw/zinc/56/02/02/1065560202.db2.gz RWFGGLXCLRKAFJ-UAOJZALGSA-N -1 0 454.439 4.522 20 0 JJADRM CCOC(=O)c1[n-]c(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)nc1Cl ZINC001439497544 1065834697 /nfs/dbraw/zinc/83/46/97/1065834697.db2.gz LQCNZQPWUBDIDN-UHFFFAOYSA-N -1 0 457.701 4.773 20 0 JJADRM O=C(COc1ccsc1)Nc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC001440371996 1065933625 /nfs/dbraw/zinc/93/36/25/1065933625.db2.gz IDJMEBRVDHUNRO-UHFFFAOYSA-N -1 0 457.360 4.873 20 0 JJADRM O=C(Nc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1)[C@@H]1C[C@H]1C1CCOCC1 ZINC001440384255 1065936131 /nfs/dbraw/zinc/93/61/31/1065936131.db2.gz VRZMXKBJJCTNPU-DLBZAZTESA-N -1 0 469.390 4.795 20 0 JJADRM Cc1cc(C(C)(C)C)cc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccccn2)c1C ZINC001440480567 1065942880 /nfs/dbraw/zinc/94/28/80/1065942880.db2.gz KCAVSUXHGILOJT-UHFFFAOYSA-N -1 0 451.592 4.727 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)/C=C/CCc2ccccc2)ccc1C ZINC001440483887 1065942995 /nfs/dbraw/zinc/94/29/95/1065942995.db2.gz KFLULIHOYBJVLG-OQLLNIDSSA-N -1 0 450.560 4.932 20 0 JJADRM C[C@H](CCc1ccccc1)NC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1[O-] ZINC001440496955 1065944567 /nfs/dbraw/zinc/94/45/67/1065944567.db2.gz SWLCLRDEFSYPRS-MRXNPFEDSA-N -1 0 458.967 4.598 20 0 JJADRM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cc(C(C)C)oc3C)ccc2OC)cc1 ZINC001440594841 1065952895 /nfs/dbraw/zinc/95/28/95/1065952895.db2.gz JAGCEOMGWURMQM-UHFFFAOYSA-N -1 0 458.536 4.782 20 0 JJADRM Cc1sc2ncn([N-]C(=O)c3nc(-c4cccc(C(F)(F)F)c4)cs3)c(=O)c2c1C ZINC001440658287 1065959472 /nfs/dbraw/zinc/95/94/72/1065959472.db2.gz MNROCSDSIFSEHN-UHFFFAOYSA-N -1 0 450.467 4.601 20 0 JJADRM C[C@H](NC(=O)c1cccc(I)c1[O-])c1cc(F)c(Cl)cc1Cl ZINC001440723614 1065971446 /nfs/dbraw/zinc/97/14/46/1065971446.db2.gz AIFQKODOCFNWCT-ZETCQYMHSA-N -1 0 454.066 4.934 20 0 JJADRM O=C(Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1)c1cccc(C(F)(F)F)c1[O-] ZINC001440741969 1065974538 /nfs/dbraw/zinc/97/45/38/1065974538.db2.gz ZWUWUQBLUFOOGR-UHFFFAOYSA-N -1 0 454.401 4.603 20 0 JJADRM CC(=O)Nc1cc(NC(=O)c2nn(-c3ccc(Cl)cc3C(F)(F)F)cc2[O-])ccc1F ZINC001440864208 1065984573 /nfs/dbraw/zinc/98/45/73/1065984573.db2.gz GRUTUXJTCKBFFN-UHFFFAOYSA-N -1 0 456.783 4.600 20 0 JJADRM CC1(C)Oc2ccc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc(Cl)cc3)cc2O1 ZINC001441367730 1066035656 /nfs/dbraw/zinc/03/56/56/1066035656.db2.gz VALDMPHRTLDATD-UHFFFAOYSA-N -1 0 458.923 4.900 20 0 JJADRM C[C@H](C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]c2ccc(Br)cc2)c1)C1CCC1 ZINC001441413330 1066038812 /nfs/dbraw/zinc/03/88/12/1066038812.db2.gz MSJIIUOLWMVJIF-LBPRGKRZSA-N -1 0 455.349 4.764 20 0 JJADRM CCCCCOc1ccc([C@H](C)NC(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])cc1OC ZINC001441449675 1066042206 /nfs/dbraw/zinc/04/22/06/1066042206.db2.gz OAGXSJYYYNMUIW-HNNXBMFYSA-N -1 0 459.493 4.925 20 0 JJADRM Cc1ccc(O)c(C(=O)Nc2nc(CC(=O)N[C@@H](C)c3cccc(OC(C)C)c3)cs2)c1 ZINC001441530290 1066048204 /nfs/dbraw/zinc/04/82/04/1066048204.db2.gz BJBQZPIXMOHJEO-INIZCTEOSA-N -1 0 453.564 4.617 20 0 JJADRM COc1ccc(-n2cc([O-])c(C(=O)N[C@@H](c3ccc(Br)cc3)C3CCC3)n2)cc1 ZINC001441953758 1066082560 /nfs/dbraw/zinc/08/25/60/1066082560.db2.gz BPBSGVWHCPYOBG-HXUWFJFHSA-N -1 0 456.340 4.620 20 0 JJADRM O=C(NCC1(c2cccc(Br)c2)CCC1)c1cc(Br)cc(F)c1[O-] ZINC001442066508 1066089030 /nfs/dbraw/zinc/08/90/30/1066089030.db2.gz ZIRBAVLJFKEUIN-UHFFFAOYSA-N -1 0 457.137 4.908 20 0 JJADRM O=C(c1cccc(Br)c1[O-])N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC001442189087 1066100625 /nfs/dbraw/zinc/10/06/25/1066100625.db2.gz SUQOBQSIEZLDLF-UHFFFAOYSA-N -1 0 450.130 4.597 20 0 JJADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC001442188598 1066100659 /nfs/dbraw/zinc/10/06/59/1066100659.db2.gz UYXQPGZRXGITML-UHFFFAOYSA-N -1 0 454.514 4.709 20 0 JJADRM C[C@H]1CCCC[C@H]1CNC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccccc1Cl)c2=O ZINC001442748533 1066156858 /nfs/dbraw/zinc/15/68/58/1066156858.db2.gz MBRPLKOMNCCPID-RDJZCZTQSA-N -1 0 456.011 4.943 20 0 JJADRM CC[C@H](CNC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1[O-])c1ccccc1 ZINC001442769002 1066159012 /nfs/dbraw/zinc/15/90/12/1066159012.db2.gz PBVZOZXKTYTTNQ-MRXNPFEDSA-N -1 0 458.967 4.770 20 0 JJADRM CC(C)(C)OC(=O)[C@H]1CCN(C(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])c2ccccc21 ZINC001454196721 1066253387 /nfs/dbraw/zinc/25/33/87/1066253387.db2.gz TXADJJZXWDDXOS-SFHVURJKSA-N -1 0 453.926 4.707 20 0 JJADRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@H](c1nnn[n-]1)c1ccccc1 ZINC001454256499 1066258177 /nfs/dbraw/zinc/25/81/77/1066258177.db2.gz UZJCKJFCHWFFEQ-KRWDZBQOSA-N -1 0 457.321 4.804 20 0 JJADRM CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3csc(C)c3C)ccc2OC)cc1 ZINC001454617679 1066310380 /nfs/dbraw/zinc/31/03/80/1066310380.db2.gz STOKBLVDOPBTGY-UHFFFAOYSA-N -1 0 458.605 4.667 20 0 JJADRM Cc1nc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)sc1C ZINC001443457343 1066314318 /nfs/dbraw/zinc/31/43/18/1066314318.db2.gz FMKUWSAFTNOIPH-UHFFFAOYSA-N -1 0 455.483 4.832 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(CSC)c2)c1 ZINC001443513392 1066321241 /nfs/dbraw/zinc/32/12/41/1066321241.db2.gz GNNPWIJQUXHJNP-UHFFFAOYSA-N -1 0 456.589 4.920 20 0 JJADRM CN(CC(F)F)C(=O)c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)c(Cl)cc1Cl ZINC001443549533 1066328345 /nfs/dbraw/zinc/32/83/45/1066328345.db2.gz NWOSZJRRLCBHQK-UHFFFAOYSA-N -1 0 457.713 4.785 20 0 JJADRM C[C@@H]1Cc2ccccc2N(C(=O)c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2[O-])C1 ZINC001443549041 1066328720 /nfs/dbraw/zinc/32/87/20/1066328720.db2.gz MYMFIGZTDZTRNY-OAHLLOKOSA-N -1 0 456.951 4.685 20 0 JJADRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)Nc3nc4ccc(OC(F)(F)F)cc4s3)n2)c1 ZINC001443569767 1066329610 /nfs/dbraw/zinc/32/96/10/1066329610.db2.gz RYADEPMGPORMGQ-UHFFFAOYSA-N -1 0 452.389 4.786 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c(C(F)F)c2)c1 ZINC001454966129 1066347090 /nfs/dbraw/zinc/34/70/90/1066347090.db2.gz RLTATUUZFWCGQF-UHFFFAOYSA-N -1 0 450.438 4.825 20 0 JJADRM CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC001443790682 1066368968 /nfs/dbraw/zinc/36/89/68/1066368968.db2.gz SLFSTMMPRWBEDF-UHFFFAOYSA-N -1 0 454.958 4.846 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@H](c2ccccc2)C(C)C)cc1 ZINC001443822548 1066371763 /nfs/dbraw/zinc/37/17/63/1066371763.db2.gz NUZHBAHRWOPJRH-DEOSSOPVSA-N -1 0 452.576 4.965 20 0 JJADRM CCCOc1ccc(O[C@@H]2CCCC[C@H]2NC(=O)c2nn(-c3cccc(F)c3)cc2[O-])cc1 ZINC001443892832 1066382089 /nfs/dbraw/zinc/38/20/89/1066382089.db2.gz PVWLNMDOFCFDSA-FYYLOGMGSA-N -1 0 453.514 4.626 20 0 JJADRM O=C(Nc1nc(/C=C/c2ccccc2)cs1)c1cccc([N-]S(=O)(=O)C(F)(F)F)c1 ZINC001443911686 1066384820 /nfs/dbraw/zinc/38/48/20/1066384820.db2.gz KIBCTLDUABAOHX-MDZDMXLPSA-N -1 0 453.467 4.827 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NCC(C)(C)c2cccs2)c1 ZINC001443975223 1066389734 /nfs/dbraw/zinc/38/97/34/1066389734.db2.gz SPMACCQSIJTFCT-UHFFFAOYSA-N -1 0 458.605 4.574 20 0 JJADRM Cc1c2ccccc2oc1CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(C)c1 ZINC001444020636 1066395020 /nfs/dbraw/zinc/39/50/20/1066395020.db2.gz TYRMCNJECZJUTM-UHFFFAOYSA-N -1 0 452.507 4.920 20 0 JJADRM COCC(C)(C)CCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC001455475740 1066395849 /nfs/dbraw/zinc/39/58/49/1066395849.db2.gz FFEWVGUWTNCAMD-UHFFFAOYSA-N -1 0 459.395 4.587 20 0 JJADRM O=C(Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1)c1cc(F)c([O-])c(Cl)c1 ZINC001444057752 1066397950 /nfs/dbraw/zinc/39/79/50/1066397950.db2.gz LSHBNLSQUDNBML-UHFFFAOYSA-N -1 0 455.660 4.786 20 0 JJADRM CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])CC1 ZINC001444062021 1066398418 /nfs/dbraw/zinc/39/84/18/1066398418.db2.gz GPMDINIXUBKKFO-QFIPXVFZSA-N -1 0 454.473 4.652 20 0 JJADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)NC[C@@H]2C[C@H]2C(F)(F)F)c1C ZINC001455560179 1066410441 /nfs/dbraw/zinc/41/04/41/1066410441.db2.gz TUEWRUVCSXLUPQ-FUHWJXTLSA-N -1 0 454.514 4.649 20 0 JJADRM CC1(C)[C@@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)Nc1ccc(OCc2nnn[n-]2)cc1 ZINC001444204278 1066429031 /nfs/dbraw/zinc/42/90/31/1066429031.db2.gz FRWQROVBWFZRLI-IDCAIIJXSA-N -1 0 458.349 4.923 20 0 JJADRM COc1cc(Cl)ccc1CNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC001444207122 1066429135 /nfs/dbraw/zinc/42/91/35/1066429135.db2.gz HUFXTDOKLDMORZ-UHFFFAOYSA-N -1 0 458.967 4.696 20 0 JJADRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)N2C[C@H](C)CCC[C@@H]2C)c1 ZINC001444212907 1066430055 /nfs/dbraw/zinc/43/00/55/1066430055.db2.gz ACWUGWYRHLNEBF-CVEARBPZSA-N -1 0 450.988 4.800 20 0 JJADRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)N2C[C@@H](C)CCC[C@H]2C)c1 ZINC001444212934 1066430894 /nfs/dbraw/zinc/43/08/94/1066430894.db2.gz ACWUGWYRHLNEBF-JKSUJKDBSA-N -1 0 450.988 4.800 20 0 JJADRM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)c2ccc([N-]S(=O)(=O)C(F)(F)F)c(C)c2)cc1 ZINC001444750610 1066501158 /nfs/dbraw/zinc/50/11/58/1066501158.db2.gz LMXTWDXWJRFNFS-AZUAARDMSA-N -1 0 454.514 4.973 20 0 JJADRM CCS[C@H]1CC[C@H](N(C)C(=O)c2cc(Cl)ccc2[N-]S(=O)(=O)c2ccccc2)C1 ZINC001444806588 1066506590 /nfs/dbraw/zinc/50/65/90/1066506590.db2.gz HKXHDKXDYSOAKN-IRXDYDNUSA-N -1 0 453.029 4.887 20 0 JJADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N(C)CC[C@H](NC(=O)OC(C)(C)C)C(C)C)n2)c1 ZINC001444928819 1066518865 /nfs/dbraw/zinc/51/88/65/1066518865.db2.gz CQVNHEPTDWAYGZ-FQEVSTJZSA-N -1 0 458.603 4.713 20 0 JJADRM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2cnc3[nH]ccc3c2C)ccc1Cl ZINC001456154183 1066524382 /nfs/dbraw/zinc/52/43/82/1066524382.db2.gz XMAYGEDVYMVVET-UHFFFAOYSA-N -1 0 454.939 4.838 20 0 JJADRM O=C(c1cccc([N-]S(=O)(=O)c2cccs2)c1)N1CC[C@H](CSc2ccccc2)C1 ZINC001445038747 1066532162 /nfs/dbraw/zinc/53/21/62/1066532162.db2.gz XRIZHHNWLPYNMC-KRWDZBQOSA-N -1 0 458.630 4.803 20 0 JJADRM CCC[C@H]1[C@H](C)CCCN1C(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1[O-] ZINC001445051772 1066534293 /nfs/dbraw/zinc/53/42/93/1066534293.db2.gz FVAJFRVUIOYFSA-QRWLVFNGSA-N -1 0 450.988 4.887 20 0 JJADRM CCSc1cc(Cl)ccc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2nccs2)c1 ZINC001445079992 1066536686 /nfs/dbraw/zinc/53/66/86/1066536686.db2.gz LSCUQKPVCKSDAI-UHFFFAOYSA-N -1 0 453.998 4.962 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N2CC[C@H](c3ccccc3)[C@@H]2C)c1 ZINC001445294344 1066555361 /nfs/dbraw/zinc/55/53/61/1066555361.db2.gz FUYGGMWMKFQDKB-AVRDEDQJSA-N -1 0 450.560 4.514 20 0 JJADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N[C@H](C)c3noc(-c4ccc(Cl)cc4)n3)n2)cc1 ZINC001445436202 1066571021 /nfs/dbraw/zinc/57/10/21/1066571021.db2.gz ACBSRMCRAGEHBE-CQSZACIVSA-N -1 0 451.914 4.896 20 0 JJADRM Cn1nc(C2CCCCC2)cc1NC(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC001445521768 1066580904 /nfs/dbraw/zinc/58/09/04/1066580904.db2.gz ZJYDPYMWCXYZRL-UHFFFAOYSA-N -1 0 458.609 4.511 20 0 JJADRM CCC[C@@H](C(=O)[N-]OCC(F)(F)F)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001445564160 1066588282 /nfs/dbraw/zinc/58/82/82/1066588282.db2.gz ZNVVNRVEKVSWCL-FQEVSTJZSA-N -1 0 450.457 4.646 20 0 JJADRM Cc1cc(C(=O)N2C[C@H]3CCCC[C@]32c2ccccc2)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC001445588111 1066592266 /nfs/dbraw/zinc/59/22/66/1066592266.db2.gz WQEMAYJQSHYLAP-NQIIRXRSSA-N -1 0 452.498 4.798 20 0 JJADRM Cc1ccc2nc(-c3ccc(F)cc3)c(CNC(=O)c3cccc(Br)c3[O-])n2c1 ZINC001456475304 1066594216 /nfs/dbraw/zinc/59/42/16/1066594216.db2.gz KFOBGLVIYBAFKG-UHFFFAOYSA-N -1 0 454.299 4.847 20 0 JJADRM Cc1nc2cc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4ccccc4C)c3)ccc2[nH]1 ZINC001445757092 1066614548 /nfs/dbraw/zinc/61/45/48/1066614548.db2.gz YJYABLBJGXLKIL-UHFFFAOYSA-N -1 0 454.939 4.886 20 0 JJADRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)N3CC[C@@H](Oc4ccc(Cl)c(Cl)c4)C3)n2)c1 ZINC001445857167 1066626907 /nfs/dbraw/zinc/62/69/07/1066626907.db2.gz AMDGJEIVMXLKFN-CQSZACIVSA-N -1 0 450.297 4.626 20 0 JJADRM O=C(c1cc(Br)cc(F)c1[O-])N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC001445964871 1066640355 /nfs/dbraw/zinc/64/03/55/1066640355.db2.gz BWAMBSWRROGUET-UHFFFAOYSA-N -1 0 451.119 4.625 20 0 JJADRM COC(=O)COc1ccc(NC(=O)c2nn(-c3ccc(C(C)C)cc3)cc2[O-])c2ccccc12 ZINC001446139151 1066663986 /nfs/dbraw/zinc/66/39/86/1066663986.db2.gz GIOALSGSCVEMPS-UHFFFAOYSA-N -1 0 459.502 4.659 20 0 JJADRM CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1[C@@H]1CCCO1 ZINC001446235269 1066676469 /nfs/dbraw/zinc/67/64/69/1066676469.db2.gz XMRHUJSEFLBREM-VUCTXSBTSA-N -1 0 459.370 4.832 20 0 JJADRM Cc1ccc2c(CC(=O)N[C@H](C)c3ccccc3[N-]S(=O)(=O)c3cccs3)c[nH]c2c1 ZINC001446271347 1066682588 /nfs/dbraw/zinc/68/25/88/1066682588.db2.gz GZWYRGMUHHUSHZ-MRXNPFEDSA-N -1 0 453.589 4.759 20 0 JJADRM COc1cccc([C@@H](C)CC(=O)N[C@H](C)c2ccccc2[N-]S(=O)(=O)c2cccs2)c1 ZINC001446273920 1066683023 /nfs/dbraw/zinc/68/30/23/1066683023.db2.gz MZHUZTRAFPVFNA-DLBZAZTESA-N -1 0 458.605 4.929 20 0 JJADRM C[C@H](NC(=O)c1csc(-c2ccco2)n1)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC001446273318 1066683090 /nfs/dbraw/zinc/68/30/90/1066683090.db2.gz MJFQTQIJRKYJHU-ZDUSSCGKSA-N -1 0 459.574 4.756 20 0 JJADRM C[C@@H](NC(=O)CCc1ccc(F)cc1F)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC001446278923 1066684421 /nfs/dbraw/zinc/68/44/21/1066684421.db2.gz UZWZDPQUWCRWCM-CQSZACIVSA-N -1 0 450.532 4.637 20 0 JJADRM C[C@H](NC(=O)CCc1ccc(F)cc1F)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC001446278920 1066684495 /nfs/dbraw/zinc/68/44/95/1066684495.db2.gz UZWZDPQUWCRWCM-AWEZNQCLSA-N -1 0 450.532 4.637 20 0 JJADRM Cc1cc([C@H](NC(=O)Cc2ccc([N-]S(=O)(=O)c3cccs3)cc2)C2CC2)ccc1F ZINC001446318932 1066689500 /nfs/dbraw/zinc/68/95/00/1066689500.db2.gz FVTNKBUCRKWPOL-HSZRJFAPSA-N -1 0 458.580 4.806 20 0 JJADRM CCC(=O)c1cccc(NC(=O)c2ccc3c(c2)[n-]c(=S)n(CCc2ccccc2)c3=O)c1 ZINC001446365031 1066696949 /nfs/dbraw/zinc/69/69/49/1066696949.db2.gz MJUDXQLODPULME-UHFFFAOYSA-N -1 0 457.555 4.773 20 0 JJADRM CCOc1ccc([C@H](NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)c2cccc(Cl)c2)cc1 ZINC001446514564 1066712728 /nfs/dbraw/zinc/71/27/28/1066712728.db2.gz HNYPHYZFNQCDPS-OALUTQOASA-N -1 0 456.892 4.647 20 0 JJADRM O=C(Nc1nc(Cc2ccccc2)cs1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC001446704323 1066732356 /nfs/dbraw/zinc/73/23/56/1066732356.db2.gz ZKLUOCWGKRCFAY-UHFFFAOYSA-N -1 0 455.586 4.849 20 0 JJADRM CC(C)(C)OC(=O)NCCc1ccc2c(c1)CCCN2C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC001457009797 1066741082 /nfs/dbraw/zinc/74/10/82/1066741082.db2.gz PFELFAHAMHESLQ-UHFFFAOYSA-N -1 0 453.564 4.777 20 0 JJADRM CC(=O)c1ccc([O-])c(NC(=O)C[C@H](C)CCc2ccc(I)cc2)c1 ZINC001447029172 1066767972 /nfs/dbraw/zinc/76/79/72/1066767972.db2.gz ZLPNSRZFJRTSAE-CYBMUJFWSA-N -1 0 451.304 4.797 20 0 JJADRM Cn1c(C(=O)Nc2cc(Cl)cc(Br)c2[O-])cc2cc(Br)cnc21 ZINC001447096682 1066772511 /nfs/dbraw/zinc/77/25/11/1066772511.db2.gz UROZBNLJRDAVGR-UHFFFAOYSA-N -1 0 459.525 4.710 20 0 JJADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)Nc3ccccc3CNC(=O)OC(C)(C)C)n2)cc1 ZINC001457171431 1066779610 /nfs/dbraw/zinc/77/96/10/1066779610.db2.gz YMMNTAHXHCXPSR-UHFFFAOYSA-N -1 0 450.539 4.978 20 0 JJADRM Cc1nn(-c2ccccc2)c(C)c1[C@H](CNC(=O)c1cc(F)c(F)c([O-])c1F)C(F)(F)F ZINC001457194954 1066784404 /nfs/dbraw/zinc/78/44/04/1066784404.db2.gz VNRGOLHYYHEKIP-AWEZNQCLSA-N -1 0 457.374 4.688 20 0 JJADRM COC[C@@H]([N-]C(=O)C(F)(F)c1ccc(OC(F)(F)F)c(Br)c1)c1ccco1 ZINC001457210102 1066791287 /nfs/dbraw/zinc/79/12/87/1066791287.db2.gz UJQQIFUHOKPJBR-LLVKDONJSA-N -1 0 458.177 4.536 20 0 JJADRM C[C@@H](Oc1ccc(C(=O)N[C@H](c2nnn[n-]2)c2ccc(Cl)c(F)c2)cc1)c1ccccc1 ZINC001447445363 1066810338 /nfs/dbraw/zinc/81/03/38/1066810338.db2.gz HOTHRZGZDBZMJG-SZNDQCEHSA-N -1 0 451.889 4.652 20 0 JJADRM COc1ccc(NC(=O)[C@H]2[C@H](c3ccccc3)[C@@H]2C)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC001457504093 1066844593 /nfs/dbraw/zinc/84/45/93/1066844593.db2.gz MGCRODMPRMBLMQ-UQDCGMOVSA-N -1 0 454.523 4.623 20 0 JJADRM COc1cc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)sn1 ZINC001457504614 1066845561 /nfs/dbraw/zinc/84/55/61/1066845561.db2.gz RQUVHMQALJLVES-UHFFFAOYSA-N -1 0 458.348 4.512 20 0 JJADRM COc1ccc(CN(C)C(=O)c2nn(-c3c(Cl)cc(Cl)cc3Cl)cc2[O-])cc1F ZINC001457527717 1066852386 /nfs/dbraw/zinc/85/23/86/1066852386.db2.gz LKWKARQWFWWHPZ-UHFFFAOYSA-N -1 0 458.704 4.958 20 0 JJADRM COCCOc1cc(C)ccc1NC(=O)c1ccc(-n2[n-]c(Cc3ccccc3)cc2=O)cc1 ZINC001457555787 1066860806 /nfs/dbraw/zinc/86/08/06/1066860806.db2.gz URPJHBOTZJPMLQ-UHFFFAOYSA-N -1 0 457.530 4.608 20 0 JJADRM O=C(Nc1nc2c(s1)C(=O)CCC2)c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1[O-] ZINC001457587508 1066872383 /nfs/dbraw/zinc/87/23/83/1066872383.db2.gz VQJIZYXERSNZQN-UHFFFAOYSA-N -1 0 457.726 4.766 20 0 JJADRM CC(C)[C@H](CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)Cc1ccccc1 ZINC001447949396 1066880510 /nfs/dbraw/zinc/88/05/10/1066880510.db2.gz AVZVYAJFVOGCTM-FQEVSTJZSA-N -1 0 454.567 4.871 20 0 JJADRM O=C(NCCCc1nc(-c2ccncc2)cs1)c1cc(Br)cc(Cl)c1[O-] ZINC001457621449 1066882779 /nfs/dbraw/zinc/88/27/79/1066882779.db2.gz WWAZHEQDABGJEO-UHFFFAOYSA-N -1 0 452.761 4.689 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)Nc2nc3ccsc3s2)c1 ZINC001457660666 1066892056 /nfs/dbraw/zinc/89/20/56/1066892056.db2.gz PUCUGVFLDRXIGQ-UHFFFAOYSA-N 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CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1csc(-c2ccc(C)o2)n1 ZINC001457785810 1066919293 /nfs/dbraw/zinc/91/92/93/1066919293.db2.gz CVSICJZSAXAXNT-GOSISDBHSA-N -1 0 450.564 4.564 20 0 JJADRM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1sc2ncccc2c1Cl ZINC001457791096 1066921637 /nfs/dbraw/zinc/92/16/37/1066921637.db2.gz SWAMWLBLJPUTPB-INIZCTEOSA-N -1 0 454.983 4.803 20 0 JJADRM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1cc2c(ccnc2Cl)s1 ZINC001457792333 1066922146 /nfs/dbraw/zinc/92/21/46/1066922146.db2.gz VGLCTCTXDBEAQF-INIZCTEOSA-N -1 0 454.983 4.803 20 0 JJADRM CC(=O)c1ccc2c(c1)CN(C(=O)c1nn(-c3cc(Cl)c(Cl)cc3Cl)cc1[O-])C2 ZINC001457851010 1066932472 /nfs/dbraw/zinc/93/24/72/1066932472.db2.gz GHZASBCAQNPFHA-UHFFFAOYSA-N -1 0 450.709 4.897 20 0 JJADRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2)cc1NC(=O)c1c(F)c(F)cc(F)c1F ZINC001448617069 1066942423 /nfs/dbraw/zinc/94/24/23/1066942423.db2.gz BCTNLLXCRVOCNM-UHFFFAOYSA-N -1 0 456.392 4.744 20 0 JJADRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2)cc1NC(=O)CSCc1cccs1 ZINC001448619890 1066943244 /nfs/dbraw/zinc/94/32/44/1066943244.db2.gz KUUPFWFHDRNDCL-UHFFFAOYSA-N -1 0 450.582 4.868 20 0 JJADRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2)cc1NC(=O)c1c[nH]c(-c2ccccc2)n1 ZINC001448619797 1066943507 /nfs/dbraw/zinc/94/35/07/1066943507.db2.gz JJYJJCUZDNWUGY-UHFFFAOYSA-N -1 0 450.495 4.577 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2CC2CCC2)ccc1C ZINC001457944960 1066945026 /nfs/dbraw/zinc/94/50/26/1066945026.db2.gz APOFFIADNIBYGP-NRFANRHFSA-N -1 0 456.608 4.989 20 0 JJADRM C[C@H]1C[C@H](CCNC(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2ccco2)c3=O)CC(C)(C)C1 ZINC001448715648 1066952744 /nfs/dbraw/zinc/95/27/44/1066952744.db2.gz AIEFURFHDFMKCF-IRXDYDNUSA-N -1 0 453.608 4.909 20 0 JJADRM Cc1nc(-c2cccnc2)[nH]c(=O)c1CCC(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC001546096203 1066958433 /nfs/dbraw/zinc/95/84/33/1066958433.db2.gz CLAVNBMZMFKJJF-UHFFFAOYSA-N -1 0 453.713 4.790 20 0 JJADRM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3csc4cc(C)ccc34)cc2)s1 ZINC001448937397 1066972364 /nfs/dbraw/zinc/97/23/64/1066972364.db2.gz MCCRWHGXSHRBSD-UHFFFAOYSA-N -1 0 458.590 4.677 20 0 JJADRM C[C@]1(CNC(=O)c2ccccc2[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)CCCS1 ZINC001545723420 1066979271 /nfs/dbraw/zinc/97/92/71/1066979271.db2.gz XZKOUXHBQFUXMW-LJQANCHMSA-N -1 0 458.527 4.522 20 0 JJADRM Cc1c(NC(=O)c2ccccc2[N-]S(=O)(=O)c2cc(C(C)(C)C)cc(C)c2C)cnn1C ZINC001545727121 1066984207 /nfs/dbraw/zinc/98/42/07/1066984207.db2.gz GFTRWNWSYKCVMJ-UHFFFAOYSA-N -1 0 454.596 4.696 20 0 JJADRM O=C(Nc1ccccc1CCC(F)(F)F)c1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC001545727205 1066984261 /nfs/dbraw/zinc/98/42/61/1066984261.db2.gz IKKOXGJVBMXUCN-UHFFFAOYSA-N -1 0 455.483 4.691 20 0 JJADRM O=C(Cc1cn2ccccc2n1)Nc1ccc(NC(=O)c2cc(Cl)ccc2[O-])c(Cl)c1 ZINC001449128656 1066984524 /nfs/dbraw/zinc/98/45/24/1066984524.db2.gz FGQUCOPABMSVCY-UHFFFAOYSA-N -1 0 455.301 4.780 20 0 JJADRM CS(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)Nc1cc(F)c(F)cc1Br ZINC001458157281 1066991850 /nfs/dbraw/zinc/99/18/50/1066991850.db2.gz KDEDVYQBWCFHJE-UHFFFAOYSA-N -1 0 455.280 4.504 20 0 JJADRM O=C(c1cccc(I)c1[O-])N1CCC([C@H](F)c2ccccc2F)CC1 ZINC001449295708 1066996285 /nfs/dbraw/zinc/99/62/85/1066996285.db2.gz JRWCJHQELVJBBJ-KRWDZBQOSA-N -1 0 457.258 4.699 20 0 JJADRM CC[C@@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC)c1)C1CCCC1 ZINC001449448035 1067009512 /nfs/dbraw/zinc/00/95/12/1067009512.db2.gz PGWCEBRBUUBPTN-LJQANCHMSA-N -1 0 450.988 4.848 20 0 JJADRM CN(Cc1ccc(NC(=O)c2cc(Br)c(F)cc2[O-])cc1)C(=O)OC(C)(C)C ZINC001449900322 1067035137 /nfs/dbraw/zinc/03/51/37/1067035137.db2.gz MEYCGXWXKFTRDE-UHFFFAOYSA-N -1 0 453.308 4.913 20 0 JJADRM CCOc1nc2cc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc(C)cc3)ccc2o1 ZINC001449953547 1067038704 /nfs/dbraw/zinc/03/87/04/1067038704.db2.gz QISMGZVGRANUTL-UHFFFAOYSA-N -1 0 451.504 4.588 20 0 JJADRM Cc1ccoc1CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC001450211551 1067060085 /nfs/dbraw/zinc/06/00/85/1067060085.db2.gz RWAYYCJZBGELHF-UHFFFAOYSA-N -1 0 453.347 4.968 20 0 JJADRM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)c1cccc([N-]S(=O)(=O)C(F)(F)F)c1 ZINC001545780058 1067075389 /nfs/dbraw/zinc/07/53/89/1067075389.db2.gz KPVOWZPGLIFESH-HNNXBMFYSA-N -1 0 455.502 4.888 20 0 JJADRM CC(C)(C)OC(=O)N(CCNC(=O)c1cccc(Br)c1[O-])C1CCCCCC1 ZINC001545783668 1067078878 /nfs/dbraw/zinc/07/88/78/1067078878.db2.gz ZTDVOFBWNGTKNS-UHFFFAOYSA-N -1 0 455.393 4.844 20 0 JJADRM O=C(Nc1cccc(Cl)c1OCC(F)F)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC001450615307 1067095932 /nfs/dbraw/zinc/09/59/32/1067095932.db2.gz XRNHEANDRMLXLB-UHFFFAOYSA-N -1 0 457.658 4.840 20 0 JJADRM CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(C4CC4)ccn3)ccc2OC)cc1 ZINC001450624695 1067097095 /nfs/dbraw/zinc/09/70/95/1067097095.db2.gz GIUIVCUZGJTVSK-UHFFFAOYSA-N -1 0 451.548 4.583 20 0 JJADRM COc1ccc(NS(=O)(=O)c2ccc([O-])c(C(=O)N(C)c3ccccc3C(C)C)c2)cc1 ZINC001450750080 1067116169 /nfs/dbraw/zinc/11/61/69/1067116169.db2.gz VETWJSMVRVOOLR-UHFFFAOYSA-N -1 0 454.548 4.602 20 0 JJADRM O=C(Nc1cccc(NS(=O)(=O)Cc2ccccc2)c1)c1cc(Cl)cc(Cl)c1[O-] ZINC001450773054 1067118987 /nfs/dbraw/zinc/11/89/87/1067118987.db2.gz JANKDDSMVAGDBT-UHFFFAOYSA-N -1 0 451.331 4.893 20 0 JJADRM COc1cccc(S([O-])=CC(=O)NC[C@@H](OCc2ccccc2)c2ccc(Cl)cc2)c1 ZINC001450840218 1067130307 /nfs/dbraw/zinc/13/03/07/1067130307.db2.gz YCMGWXPLWLVFFQ-IPBJYNAHSA-N -1 0 457.979 4.531 20 0 JJADRM Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(F)c(F)c3[O-])c2)c1 ZINC001450994619 1067138632 /nfs/dbraw/zinc/13/86/32/1067138632.db2.gz CVVPJBFKVXALNX-UHFFFAOYSA-N -1 0 452.866 4.685 20 0 JJADRM O=C(CSc1ncnc2sc3c(c21)CCCC3)C1([N-]C(=O)C(F)(F)F)CCCCC1 ZINC001458808048 1067151268 /nfs/dbraw/zinc/15/12/68/1067151268.db2.gz FOEDEMDTQWHJHH-UHFFFAOYSA-N -1 0 457.543 4.613 20 0 JJADRM CCc1cccc(CC)c1Nc1nnc(SCC2=Nc3ccccc3S(=O)(=O)[N-]2)s1 ZINC001458885074 1067186071 /nfs/dbraw/zinc/18/60/71/1067186071.db2.gz WXXFHTBSGIMMMJ-UHFFFAOYSA-N -1 0 459.622 4.521 20 0 JJADRM C[C@H](c1ccccc1)n1cc(NC(=O)c2cccc([N-]S(=O)(=O)c3cccs3)c2)cn1 ZINC001452079442 1067205874 /nfs/dbraw/zinc/20/58/74/1067205874.db2.gz LYPNMQHMABDFCN-MRXNPFEDSA-N -1 0 452.561 4.607 20 0 JJADRM O=C(NCc1ccc(-c2cnco2)cc1)c1cc(Br)c([O-])c(Br)c1 ZINC001452373935 1067220796 /nfs/dbraw/zinc/22/07/96/1067220796.db2.gz NVVYZVKRKOBCBE-UHFFFAOYSA-N -1 0 452.102 4.502 20 0 JJADRM Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC001452521226 1067231167 /nfs/dbraw/zinc/23/11/67/1067231167.db2.gz UEKRRGONQVFKIK-XPTSAGLGSA-N -1 0 464.271 4.628 20 0 JJADRM O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1sc2cc(Br)ccc2c1Cl ZINC001459078917 1067247329 /nfs/dbraw/zinc/24/73/29/1067247329.db2.gz GEKPJJVOIYIEDH-UHFFFAOYSA-N -1 0 450.701 4.913 20 0 JJADRM CCc1cccc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3cc(Cl)ccc3OC)c2)c1 ZINC001452771430 1067250901 /nfs/dbraw/zinc/25/09/01/1067250901.db2.gz BXRCHWJYIQAGBC-UHFFFAOYSA-N -1 0 458.967 4.642 20 0 JJADRM C[C@H]1CN(C(=O)c2cc(Cl)ccc2[N-]S(=O)(=O)c2ccccc2)CCc2ccccc21 ZINC001452864436 1067258058 /nfs/dbraw/zinc/25/80/58/1067258058.db2.gz MLCUHPVHURWROD-KRWDZBQOSA-N -1 0 454.979 4.943 20 0 JJADRM COc1ccc([C@@H]2CCN(C(=O)/C=C\C3CCCCCC3)C[C@@H]2[N-]C(=O)C(F)(F)F)cc1F ZINC001452961648 1067268130 /nfs/dbraw/zinc/26/81/30/1067268130.db2.gz RKJLPSVLMMOTHL-HWJGFJICSA-N -1 0 470.507 4.724 20 0 JJADRM C/C(=C/C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H]([N-]C(=O)C(F)(F)F)C1)c1ccccc1Cl ZINC001453120762 1067280768 /nfs/dbraw/zinc/28/07/68/1067280768.db2.gz DIIPXEPFPFXOQO-MAODKAAYSA-N -1 0 468.878 4.946 20 0 JJADRM C[C@H](CSc1ccccc1)C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001453133951 1067282658 /nfs/dbraw/zinc/28/26/58/1067282658.db2.gz UROSHUQFSCLLEG-XPGWFJOJSA-N -1 0 468.516 4.617 20 0 JJADRM O=C(CCc1ccccc1C(F)(F)F)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC001453684405 1067321631 /nfs/dbraw/zinc/32/16/31/1067321631.db2.gz RFCKGRDTQDDRGH-IEBWSBKVSA-N -1 0 472.429 4.701 20 0 JJADRM CCn1c(=O)c2ccc(C(=O)N(Cc3ccccc3)[C@@H](C)Cc3ccccc3)cc2[n-]c1=S ZINC001453815776 1067330674 /nfs/dbraw/zinc/33/06/74/1067330674.db2.gz FHXMRYDMGCZLCT-IBGZPJMESA-N -1 0 457.599 4.979 20 0 JJADRM Cc1nc(CCCC(=O)Nc2c(C([O-])(C(F)(F)F)C(F)(F)F)cnn2C(C)C)cs1 ZINC001453841647 1067331833 /nfs/dbraw/zinc/33/18/33/1067331833.db2.gz OBTGXOLZCNKRCR-UHFFFAOYSA-N -1 0 458.428 4.503 20 0 JJADRM COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1c(C([O-])(C(F)(F)F)C(F)(F)F)cnn1C(C)C ZINC001453840648 1067331916 /nfs/dbraw/zinc/33/19/16/1067331916.db2.gz MSMMLDRRVDJBSQ-QWHCGFSZSA-N -1 0 465.394 4.527 20 0 JJADRM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)c1 ZINC001460039212 1067536133 /nfs/dbraw/zinc/53/61/33/1067536133.db2.gz LVJOYNONEDHEHC-UHFFFAOYSA-N -1 0 455.436 4.678 20 0 JJADRM C[C@H]1CC[C@H](C(=O)OC(C)(C)C)CN1Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC001460274758 1067595723 /nfs/dbraw/zinc/59/57/23/1067595723.db2.gz YTSFCYXSQOLIIW-HOCLYGCPSA-N -1 0 457.571 4.733 20 0 JJADRM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)C[C@@H](C)c3ccc(C(C)C)cc3)cc2)n1 ZINC001460624367 1067676381 /nfs/dbraw/zinc/67/63/81/1067676381.db2.gz DKDDTOXTNDPXQH-QGZVFWFLSA-N -1 0 452.580 4.842 20 0 JJADRM Cc1cc(NC(=O)c2cc3ccccc3cc2[N-]S(C)(=O)=O)cc(F)c1Br ZINC001460876895 1067740381 /nfs/dbraw/zinc/74/03/81/1067740381.db2.gz XFSXIDKXUXNPDX-UHFFFAOYSA-N -1 0 451.317 4.674 20 0 JJADRM C[C@H]1CCc2[nH]c3ccc(C(=O)N4C[C@H]([N-]C(=O)C(F)(F)F)CC[C@H]4C(F)(F)F)cc3c2C1 ZINC001461185997 1067795029 /nfs/dbraw/zinc/79/50/29/1067795029.db2.gz WKVLTHVTVZIISV-SRBZOADZSA-N -1 0 475.433 4.507 20 0 JJADRM Cc1c2cc(F)ccc2oc1C(=O)N1CC[C@@H](c2cccc(F)c2)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001461421097 1067852732 /nfs/dbraw/zinc/85/27/32/1067852732.db2.gz UYSWKHACEGAVQJ-WMZOPIPTSA-N -1 0 466.406 4.696 20 0 JJADRM CC(C)(C)c1ccc(C(=O)N2CC[C@@H](c3cccc(F)c3)[C@@H]([N-]C(=O)C(F)(F)F)C2)s1 ZINC001461422091 1067853090 /nfs/dbraw/zinc/85/30/90/1067853090.db2.gz YFUNJVSWCISWTM-HOTGVXAUSA-N -1 0 456.505 4.862 20 0 JJADRM O=S(=O)([N-]c1nccs1)c1cccc(NCc2ccc(Cl)c(Br)c2)c1 ZINC001461492489 1067874989 /nfs/dbraw/zinc/87/49/89/1067874989.db2.gz UVNLIZCBQVAKBA-UHFFFAOYSA-N -1 0 458.790 4.972 20 0 JJADRM C[C@H](CNc1cccc(S(=O)(=O)[N-]c2nccs2)c1)c1cccc(Br)c1 ZINC001462209121 1068029473 /nfs/dbraw/zinc/02/94/73/1068029473.db2.gz GJFKXAFCYWYURN-CYBMUJFWSA-N -1 0 452.399 4.922 20 0 JJADRM CCOc1cc(CN2CC[C@@H](c3cccc(F)c3)[C@@H]([N-]C(=O)C(F)(F)F)C2)cc(Cl)c1O ZINC001462414270 1068069959 /nfs/dbraw/zinc/06/99/59/1068069959.db2.gz OXQLRWLVTUQKMA-WMZOPIPTSA-N -1 0 474.882 4.620 20 0 JJADRM O=S(=O)([N-][C@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1c(F)cc(Br)cc1F ZINC001462972802 1068233949 /nfs/dbraw/zinc/23/39/49/1068233949.db2.gz TYDCVHASUWRRTM-YGRLFVJLSA-N -1 0 456.230 4.581 20 0 JJADRM O=S(=O)([N-][C@@H]1C[C@H]1c1ccccc1C(F)(F)F)c1c(F)cc(Br)cc1F ZINC001462972795 1068234082 /nfs/dbraw/zinc/23/40/82/1068234082.db2.gz TYDCVHASUWRRTM-IINYFYTJSA-N -1 0 456.230 4.581 20 0 JJADRM COc1ccc([C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Br)C(F)(F)F)cc1 ZINC001463384421 1068379799 /nfs/dbraw/zinc/37/97/99/1068379799.db2.gz YGGKKHCTOCMILI-AWEZNQCLSA-N -1 0 458.683 4.693 20 0 JJADRM O=S(=O)([N-][C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1cnc(Cl)c(Cl)c1 ZINC001463500524 1068420476 /nfs/dbraw/zinc/42/04/76/1068420476.db2.gz BVCAPXLNLRRIGQ-NSHDSACASA-N -1 0 453.191 4.989 20 0 JJADRM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)Nc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC001463558540 1068441679 /nfs/dbraw/zinc/44/16/79/1068441679.db2.gz AIUZXTFHASBQIO-JWXAPSBJSA-N -1 0 457.379 4.792 20 0 JJADRM O=C(NCCc1c[nH]c2ccccc12)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC001463609580 1068465373 /nfs/dbraw/zinc/46/53/73/1068465373.db2.gz PVLZGSAOVLGUGZ-UHFFFAOYSA-N -1 0 453.951 4.595 20 0 JJADRM COc1ccc(NC(=O)C=C2CCSCC2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC001463700149 1068499060 /nfs/dbraw/zinc/49/90/60/1068499060.db2.gz PWRKLYVFGVYCBN-UHFFFAOYSA-N -1 0 452.985 4.541 20 0 JJADRM COc1ccc(NC(=O)/C=C\c2ncccc2C)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC001463701221 1068499176 /nfs/dbraw/zinc/49/91/76/1068499176.db2.gz WQXBQVFMKHJWPN-BENRWUELSA-N -1 0 457.939 4.505 20 0 JJADRM CCOc1ccc([C@H](NC(=O)c2nn(-c3cc(C)ccc3F)cc2[O-])C(C)C)cc1OCC ZINC001463800613 1068529115 /nfs/dbraw/zinc/52/91/15/1068529115.db2.gz PLPMSQXPFGOEGN-HSZRJFAPSA-N -1 0 455.530 4.950 20 0 JJADRM Cc1cccc(N2CCN(C(=O)c3ccsc3NC(=O)c3ccc(Cl)cc3[O-])CC2)c1 ZINC001463803236 1068530946 /nfs/dbraw/zinc/53/09/46/1068530946.db2.gz BLAVRVCNWIMJQP-UHFFFAOYSA-N -1 0 455.967 4.630 20 0 JJADRM CCOC(=O)c1cnn(-c2ccc(NC(=O)c3ccc(Cl)cc3[O-])cc2)c1C(F)(F)F ZINC001463839475 1068543563 /nfs/dbraw/zinc/54/35/63/1068543563.db2.gz NGULEVHFWFIMSK-UHFFFAOYSA-N -1 0 453.804 4.679 20 0 JJADRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccc(OC(C)C)cc2)c1 ZINC001463865185 1068550387 /nfs/dbraw/zinc/55/03/87/1068550387.db2.gz GUFOYBXPNDYKSK-UHFFFAOYSA-N -1 0 452.576 4.821 20 0 JJADRM CC[C@H](C)c1ccc([C@H](NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2[O-])C(C)C)cc1 ZINC001463963165 1068576414 /nfs/dbraw/zinc/57/64/14/1068576414.db2.gz RESJUJKIZMSIHB-MHECFPHRSA-N -1 0 458.624 4.817 20 0 JJADRM O=C(NCc1cccc(F)c1)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC001464052098 1068600415 /nfs/dbraw/zinc/60/04/15/1068600415.db2.gz LHMNRJZYTALRCX-UHFFFAOYSA-N -1 0 453.322 4.863 20 0 JJADRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)NCCC2CCCCC2)c1 ZINC001464099644 1068615494 /nfs/dbraw/zinc/61/54/94/1068615494.db2.gz LDOBIBOESCQBOZ-UHFFFAOYSA-N -1 0 450.988 4.850 20 0 JJADRM CCCOc1ccc(CN(CCC)C(=O)c2nn(-c3cc(C)ccc3F)cc2[O-])cc1OC ZINC001464141537 1068632333 /nfs/dbraw/zinc/63/23/33/1068632333.db2.gz HNJSUPJQGWLZFX-UHFFFAOYSA-N -1 0 455.530 4.875 20 0 JJADRM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2cccnc2OC(C)C)ccc1Cl ZINC001464230565 1068666310 /nfs/dbraw/zinc/66/63/10/1068666310.db2.gz CPIDKZAJVDZLJA-UHFFFAOYSA-N -1 0 459.955 4.884 20 0 JJADRM Cc1ccc(CNC(=O)c2ccccc2[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)s1 ZINC001464249277 1068675342 /nfs/dbraw/zinc/67/53/42/1068675342.db2.gz NWNNRLDXKRXTPZ-UHFFFAOYSA-N -1 0 454.495 4.806 20 0 JJADRM O=C(Nc1nnc(-c2ccccc2)s1)c1cc(Br)cc(Br)c1[O-] ZINC001464388715 1068728188 /nfs/dbraw/zinc/72/81/88/1068728188.db2.gz QYEDMCZVVZMSLY-UHFFFAOYSA-N -1 0 455.131 4.688 20 0 JJADRM COc1ccc(CCCNC(=O)c2cc(Cl)ccc2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC001464406586 1068735210 /nfs/dbraw/zinc/73/52/10/1068735210.db2.gz AYRXHAQVETUTOS-UHFFFAOYSA-N -1 0 458.967 4.512 20 0 JJADRM Cc1cc(NC(=O)c2cccc([N-]S(=O)(=O)C(F)(F)F)c2)ccc1Oc1cccnc1 ZINC001464426957 1068741716 /nfs/dbraw/zinc/74/17/16/1068741716.db2.gz YOWSDRBCGIIDKT-UHFFFAOYSA-N -1 0 451.426 4.696 20 0 JJADRM CC(C)Oc1ccc([C@@H](C)NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC001464478079 1068760847 /nfs/dbraw/zinc/76/08/47/1068760847.db2.gz YJJMCERXVIKRBA-QGZVFWFLSA-N -1 0 456.539 4.905 20 0 JJADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)Nc3cc(F)ccc3Sc3nccn3C)n2)cc1 ZINC001464563731 1068782960 /nfs/dbraw/zinc/78/29/60/1068782960.db2.gz TUSXKCTYFCFJSM-UHFFFAOYSA-N -1 0 451.527 4.977 20 0 JJADRM C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)CCn3c(=O)c4ccccc4[n-]c3=S)c2)C1 ZINC001464571688 1068786084 /nfs/dbraw/zinc/78/60/84/1068786084.db2.gz BQECBZNVHPQSCH-YLJYHZDGSA-N -1 0 451.592 4.809 20 0 JJADRM O=C(Nc1ccc(OCc2ccccn2)c(Cl)c1)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC001464654809 1068813213 /nfs/dbraw/zinc/81/32/13/1068813213.db2.gz LFJVILUEBWEDNS-UHFFFAOYSA-N -1 0 456.836 4.736 20 0 JJADRM COc1ccc(C[C@H](C)N(C)C(=O)c2cc(Br)c([O-])c(Br)c2)cc1 ZINC001464704688 1068831006 /nfs/dbraw/zinc/83/10/06/1068831006.db2.gz APCCMEVZMCEUPB-NSHDSACASA-N -1 0 457.162 4.629 20 0 JJADRM Cc1ccccc1C1(CNC(=O)c2cc(Cl)ccc2[N-]S(=O)(=O)c2ccccc2)CC1 ZINC001464705608 1068832122 /nfs/dbraw/zinc/83/21/22/1068832122.db2.gz MKSSNZZDMHJTLK-UHFFFAOYSA-N -1 0 454.979 4.911 20 0 JJADRM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1OCC(F)F ZINC001464715314 1068836048 /nfs/dbraw/zinc/83/60/48/1068836048.db2.gz RVABTNLKGAANMW-UHFFFAOYSA-N -1 0 452.504 4.754 20 0 JJADRM COCCCn1c(=O)c2c(nc1SCc1cccc(C(=O)[O-])c1)sc1c2CCCS1 ZINC000013062039 556257199 /nfs/dbraw/zinc/25/71/99/556257199.db2.gz ZRGVRTBSRHYKAV-UHFFFAOYSA-N -1 0 462.618 4.523 20 0 JJADRM COc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@H](C)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC001545850585 1064261190 /nfs/dbraw/zinc/26/11/90/1064261190.db2.gz LHYRACNPVRGKCD-ZYSHUDEJSA-N -1 0 456.589 4.538 20 0 JJADRM C[C@@H](NC(=O)c1ccc2c(c1)C(C)(C)CO2)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC001545853008 1064262807 /nfs/dbraw/zinc/26/28/07/1064262807.db2.gz DLWXXIRKQNHXSA-OAHLLOKOSA-N -1 0 456.589 4.710 20 0 JJADRM C[C@@H](NC(=O)c1cc(F)c(Cl)cc1F)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC001545852926 1064262859 /nfs/dbraw/zinc/26/28/59/1064262859.db2.gz BQZXMWHGLRJLLQ-LLVKDONJSA-N -1 0 456.923 4.972 20 0 JJADRM C[C@@H](NC(=O)c1csc(-c2ccoc2)n1)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC001545853914 1064263178 /nfs/dbraw/zinc/26/31/78/1064263178.db2.gz WJFOYAHDIYEEPL-CYBMUJFWSA-N -1 0 459.574 4.756 20 0 JJADRM CC(=O)c1cccc(OCc2cc(C(=O)[N-]c3nnc(-c4cccc(Cl)c4)s3)no2)c1 ZINC001435011305 1064426881 /nfs/dbraw/zinc/42/68/81/1064426881.db2.gz XHFLDHBXTGJCOP-UHFFFAOYSA-N -1 0 454.895 4.880 20 0 JJADRM CC(=O)c1cccc(OCc2cc(C(=O)[N-]c3nnc(-c4ccc(Cl)cc4)s3)no2)c1 ZINC001435636625 1064898197 /nfs/dbraw/zinc/89/81/97/1064898197.db2.gz FWTJIXMZQFELOG-UHFFFAOYSA-N -1 0 454.895 4.880 20 0 JJADRM O=C(NCc1ccc(Sc2ccc(F)cc2)cc1)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC001435670948 1064924357 /nfs/dbraw/zinc/92/43/57/1064924357.db2.gz JSCMHWCWASZZQC-UHFFFAOYSA-N -1 0 452.429 4.678 20 0 JJADRM CN(Cc1cccc(Br)c1OC[C@@H]1CCCO1)C(=O)c1cccc(Cl)c1[O-] ZINC001435915137 1065061501 /nfs/dbraw/zinc/06/15/01/1065061501.db2.gz XUYKNUAOHOHFHG-AWEZNQCLSA-N -1 0 454.748 4.638 20 0 JJADRM COc1ccccc1-c1nnc([N-]C(=O)c2cc(-c3cccc(Br)c3)no2)s1 ZINC001436381568 1065306455 /nfs/dbraw/zinc/30/64/55/1065306455.db2.gz WZXHJCWCODBXPZ-UHFFFAOYSA-N -1 0 457.309 4.884 20 0 JJADRM O=C(Cc1cc(Cl)cc(Cl)c1)N1CC[C@@H](c2cccc(F)c2)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001437471518 1065557573 /nfs/dbraw/zinc/55/75/73/1065557573.db2.gz ATEFCQAIVURYCF-ROUUACIJSA-N -1 0 477.285 4.738 20 0 JJADRM CC(C)c1ccc(SCC(=O)N2C[C@@H]([N-]C(=O)C(F)(F)F)CC[C@H]2C(F)(F)F)cc1 ZINC001437707547 1065594615 /nfs/dbraw/zinc/59/46/15/1065594615.db2.gz XCZKERBLIOTYIT-ZFWWWQNUSA-N -1 0 456.452 4.503 20 0 JJADRM Cc1cc(Oc2ccc(CN(C)C(=O)Cc3cc(=O)n(CC(C)C)[n-]3)c(Cl)c2)ccc1F ZINC001438941109 1065770260 /nfs/dbraw/zinc/77/02/60/1065770260.db2.gz STYOFERHXBNZLA-UHFFFAOYSA-N -1 0 459.949 4.927 20 0 JJADRM CCCOc1cccc(CCNC(=O)c2sccc2S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC001545920561 1065791955 /nfs/dbraw/zinc/79/19/55/1065791955.db2.gz OCLDHRNQECEWAK-UHFFFAOYSA-N -1 0 458.605 4.619 20 0 JJADRM C[C@@H]1CCN(C(=O)[C@H](Oc2ccc(F)cc2Cl)c2ccccc2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001440201682 1065923571 /nfs/dbraw/zinc/92/35/71/1065923571.db2.gz ZSTHBUNTDWDGKQ-XVGQJIODSA-N -1 0 472.866 4.515 20 0 JJADRM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)ccc1Cl ZINC001440311562 1065929671 /nfs/dbraw/zinc/92/96/71/1065929671.db2.gz ZWBXLESGRJVEMA-UHFFFAOYSA-N -1 0 457.895 4.548 20 0 JJADRM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(NC(=O)[C@]23C[C@H]2CCC3)cc1 ZINC001440578719 1065951872 /nfs/dbraw/zinc/95/18/72/1065951872.db2.gz AFNIPMWLTUWJDV-SPLOXXLWSA-N -1 0 479.396 4.777 20 0 JJADRM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C3(C(F)F)CCCC3)ccc2Cl)cc1 ZINC001440756016 1065976994 /nfs/dbraw/zinc/97/69/94/1065976994.db2.gz KJCOJJUYVGJWBW-UHFFFAOYSA-N -1 0 458.914 4.913 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@H](C)c2ccc(C)cc2C)cc1 ZINC001441178555 1066011995 /nfs/dbraw/zinc/01/19/95/1066011995.db2.gz QFJVKMQGPIARNI-LJQANCHMSA-N -1 0 452.576 4.946 20 0 JJADRM Cc1cc(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC001441284866 1066022840 /nfs/dbraw/zinc/02/28/40/1066022840.db2.gz XSLCCNFUYLJJFR-UHFFFAOYSA-N -1 0 455.458 4.948 20 0 JJADRM O=C(NCc1csc2ccccc12)c1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC001441433633 1066041358 /nfs/dbraw/zinc/04/13/58/1066041358.db2.gz MRBFOAYEERBJHS-UHFFFAOYSA-N -1 0 458.511 4.910 20 0 JJADRM C[C@H](Sc1ccc(F)cc1)C(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cccs2)c1 ZINC001441547061 1066049667 /nfs/dbraw/zinc/04/96/67/1066049667.db2.gz JRICRAIJCHRIBA-LBPRGKRZSA-N -1 0 454.545 4.946 20 0 JJADRM COc1ccc(-n2cc([O-])c(C(=O)Nc3ncc(Cc4ccc(C)c(Cl)c4)s3)n2)cc1 ZINC001441766008 1066068573 /nfs/dbraw/zinc/06/85/73/1066068573.db2.gz PWVKQHHBSLDXTL-UHFFFAOYSA-N -1 0 454.939 4.848 20 0 JJADRM COc1ccc(-n2cc([O-])c(C(=O)N[C@H](c3ccc(Br)cc3)C3CCC3)n2)cc1 ZINC001441953757 1066082757 /nfs/dbraw/zinc/08/27/57/1066082757.db2.gz BPBSGVWHCPYOBG-FQEVSTJZSA-N -1 0 456.340 4.620 20 0 JJADRM CCCCc1nnc(NC(=O)c2ccc(Cl)cc2[N-]S(=O)(=O)c2ccccc2)s1 ZINC001442033200 1066086885 /nfs/dbraw/zinc/08/68/85/1066086885.db2.gz ODGLVXWXDNCGGW-UHFFFAOYSA-N -1 0 450.973 4.587 20 0 JJADRM CCC(CC)c1nnc([N-]C(=O)c2sccc2S(=O)(=O)NC2CCCCCC2)s1 ZINC001442056485 1066088320 /nfs/dbraw/zinc/08/83/20/1066088320.db2.gz CKIDMRHTRMPZMK-UHFFFAOYSA-N -1 0 456.659 4.757 20 0 JJADRM O=C(Nc1ccc(NC(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])cc1Cl)c1ccco1 ZINC001442084962 1066091906 /nfs/dbraw/zinc/09/19/06/1066091906.db2.gz RRCHWRMHZRBHGP-UHFFFAOYSA-N -1 0 458.808 4.607 20 0 JJADRM Cc1cc(C)cc(OCCNC(=O)c2nn(-c3ccc(Cl)cc3C(F)(F)F)cc2[O-])c1 ZINC001442206498 1066101947 /nfs/dbraw/zinc/10/19/47/1066101947.db2.gz DLCJYGBRJGNWRJ-UHFFFAOYSA-N -1 0 453.848 4.676 20 0 JJADRM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccccn2)ccc1Cl ZINC001442248611 1066108351 /nfs/dbraw/zinc/10/83/51/1066108351.db2.gz MUMJPZBJZORTSQ-OAQYLSRUSA-N -1 0 455.967 4.822 20 0 JJADRM CC1(C)CC[C@H](NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2O)c2ccccc21 ZINC001442471747 1066129184 /nfs/dbraw/zinc/12/91/84/1066129184.db2.gz KQAHKBDROVCZRF-IBGZPJMESA-N -1 0 456.589 4.797 20 0 JJADRM O=C(N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC001442536072 1066134262 /nfs/dbraw/zinc/13/42/62/1066134262.db2.gz HKBYTNAMWOARKN-FQEVSTJZSA-N -1 0 455.411 4.848 20 0 JJADRM COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC001442540358 1066134285 /nfs/dbraw/zinc/13/42/85/1066134285.db2.gz UEFJMJCUXZDSLD-IBGZPJMESA-N -1 0 459.521 4.999 20 0 JJADRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCCC[C@@H]2C)c1 ZINC001442746448 1066156423 /nfs/dbraw/zinc/15/64/23/1066156423.db2.gz JSZRHNYWQWWMDI-RDJZCZTQSA-N -1 0 450.988 4.706 20 0 JJADRM CCc1cccc2c1OCC[C@@H]2NC(=O)c1cc(Br)c([O-])c(Br)c1 ZINC001442796212 1066222849 /nfs/dbraw/zinc/22/28/49/1066222849.db2.gz IGQBNIBUUDMRNX-HNNXBMFYSA-N -1 0 455.146 4.733 20 0 JJADRM C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1ccccc1[N-]S(=O)(=O)C(F)(F)F ZINC001442907813 1066238596 /nfs/dbraw/zinc/23/85/96/1066238596.db2.gz LPYPCWBNEZIAFA-JTQLQIEISA-N -1 0 455.285 4.616 20 0 JJADRM C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1cccc(I)c1[O-] ZINC001442906110 1066238731 /nfs/dbraw/zinc/23/87/31/1066238731.db2.gz IZVNOIHIRGVVIP-VIFPVBQESA-N -1 0 450.103 4.665 20 0 JJADRM O=C(Nc1ccc(OC2CCCC2)nc1)c1cc(Br)c([O-])c(Br)c1 ZINC001442934151 1066243764 /nfs/dbraw/zinc/24/37/64/1066243764.db2.gz AMONAFGVLIBTTC-UHFFFAOYSA-N -1 0 456.134 4.886 20 0 JJADRM CC(C)Oc1ccc(CNC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])c(C(F)(F)F)c1 ZINC001442958264 1066245828 /nfs/dbraw/zinc/24/58/28/1066245828.db2.gz FVBMLGPIQYSZEP-UHFFFAOYSA-N -1 0 453.848 4.967 20 0 JJADRM Cn1ccc2c1cccc2NC(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC001442962608 1066246953 /nfs/dbraw/zinc/24/69/53/1066246953.db2.gz ULEHJAJHXPBDJE-UHFFFAOYSA-N -1 0 455.923 4.590 20 0 JJADRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccccc2C)c1 ZINC001454298002 1066266244 /nfs/dbraw/zinc/26/62/44/1066266244.db2.gz RJYWDJONUVPBRI-MRXNPFEDSA-N -1 0 458.967 4.949 20 0 JJADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)NC[C@H](C)c2ccncc2)c1C ZINC001454549592 1066299830 /nfs/dbraw/zinc/29/98/30/1066299830.db2.gz PUBYNIDGUWFHSH-SFHVURJKSA-N -1 0 451.592 4.650 20 0 JJADRM O=C(NC[C@@]1(Cc2ccccc2)C=CCCC1)c1cccc([N-]S(=O)(=O)C(F)(F)F)c1 ZINC001454658087 1066317256 /nfs/dbraw/zinc/31/72/56/1066317256.db2.gz KUDIEIKPDUNZMT-NRFANRHFSA-N -1 0 452.498 4.647 20 0 JJADRM CC[C@@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2OC)c1)c1cc(C)ccc1C ZINC001454770837 1066332542 /nfs/dbraw/zinc/33/25/42/1066332542.db2.gz OREZAVDHNYTXAM-JOCHJYFZSA-N -1 0 452.576 4.994 20 0 JJADRM C[C@@H]1CCC[C@H](C)N1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC001443590923 1066333886 /nfs/dbraw/zinc/33/38/86/1066333886.db2.gz ZVLZRGCDCHLSKS-BETUJISGSA-N -1 0 457.415 4.715 20 0 JJADRM C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC001443590925 1066333999 /nfs/dbraw/zinc/33/39/99/1066333999.db2.gz ZVLZRGCDCHLSKS-CHWSQXEVSA-N -1 0 457.415 4.715 20 0 JJADRM CCC(CC)(CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2OC)cc1)C(F)(F)F ZINC001454943175 1066344457 /nfs/dbraw/zinc/34/44/57/1066344457.db2.gz NVNHTUDNOSSTRD-UHFFFAOYSA-N -1 0 458.502 4.595 20 0 JJADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)Nc3cccc(CN=S4(=O)CCCC4)c3)n2)c1 ZINC001455046946 1066355395 /nfs/dbraw/zinc/35/53/95/1066355395.db2.gz KPRRDQILFLSCAA-UHFFFAOYSA-N -1 0 452.580 4.715 20 0 JJADRM Cc1ccccc1OCCCNC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC001443734505 1066361027 /nfs/dbraw/zinc/36/10/27/1066361027.db2.gz UXZSZZMAHJCDIZ-UHFFFAOYSA-N -1 0 458.967 4.648 20 0 JJADRM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)c3ccc(C)c(Cl)c3)cc2)cc1 ZINC001443765347 1066364212 /nfs/dbraw/zinc/36/42/12/1066364212.db2.gz XMOAVKVDKBVFKE-UHFFFAOYSA-N -1 0 456.951 4.928 20 0 JJADRM O=C(N[C@H]1CCc2cc(Br)ccc2NC1=O)c1cc(Cl)c2ccccc2c1[O-] ZINC001455198616 1066369830 /nfs/dbraw/zinc/36/98/30/1066369830.db2.gz XJINROIZRNOFAN-SFHVURJKSA-N -1 0 459.727 4.645 20 0 JJADRM COCCCn1c(=O)c2ccc(C(=O)N[C@@H](c3ccccc3Cl)C(C)C)cc2[n-]c1=S ZINC001444021597 1066395321 /nfs/dbraw/zinc/39/53/21/1066395321.db2.gz VPXHLCYPIJLVHK-HXUWFJFHSA-N -1 0 459.999 4.502 20 0 JJADRM COCC(C)(C)CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC001455477785 1066395961 /nfs/dbraw/zinc/39/59/61/1066395961.db2.gz ZKAIWXSLXBAYJN-UHFFFAOYSA-N -1 0 459.395 4.587 20 0 JJADRM O=C(NC1CC(Nc2ccccc2)C1)c1nn(-c2ccc(Cl)cc2C(F)(F)F)cc1[O-] ZINC001455500128 1066398071 /nfs/dbraw/zinc/39/80/71/1066398071.db2.gz ZSMUKIOQHSINNV-UHFFFAOYSA-N -1 0 450.848 4.623 20 0 JJADRM COc1cccc([C@@H](NC(=O)c2nn(-c3ccccc3F)cc2[O-])c2ccccc2Cl)c1 ZINC001444255756 1066435666 /nfs/dbraw/zinc/43/56/66/1066435666.db2.gz AQRJRBQZDLBTDI-JOCHJYFZSA-N -1 0 451.885 4.898 20 0 JJADRM CCCN(C(=O)c1cccc(I)c1[O-])[C@H]1C[C@@H](OCC)C12CCCC2 ZINC001444318771 1066447895 /nfs/dbraw/zinc/44/78/95/1066447895.db2.gz DYCCVLMWRTZEBI-DLBZAZTESA-N -1 0 457.352 4.587 20 0 JJADRM CCCC[C@@H](COC)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC001444322958 1066448809 /nfs/dbraw/zinc/44/88/09/1066448809.db2.gz QJLYFMUNRYRSBZ-KRWDZBQOSA-N -1 0 459.395 4.729 20 0 JJADRM CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC001444326873 1066449949 /nfs/dbraw/zinc/44/99/49/1066449949.db2.gz UPFFCXVEKYITGD-HXPMCKFVSA-N -1 0 453.848 4.756 20 0 JJADRM Cc1cc(NC(=O)c2ccsc2NC(=O)c2ccc(Cl)cc2[O-])ccc1C(=O)N(C)C ZINC001444351551 1066453891 /nfs/dbraw/zinc/45/38/91/1066453891.db2.gz VCFLJDRWJXZWDL-UHFFFAOYSA-N -1 0 457.939 4.622 20 0 JJADRM CC[C@@H](C)[C@H]1CCCCN1C(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1[O-] ZINC001444497154 1066468057 /nfs/dbraw/zinc/46/80/57/1066468057.db2.gz DPGBGDITYOPUIX-FOIQADDNSA-N -1 0 450.988 4.887 20 0 JJADRM CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1[O-] ZINC001444497164 1066468231 /nfs/dbraw/zinc/46/82/31/1066468231.db2.gz DPGBGDITYOPUIX-QRWLVFNGSA-N -1 0 450.988 4.887 20 0 JJADRM Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)c2ccc([N-]S(=O)(=O)C(F)(F)F)c(C)c2)cc1 ZINC001444750635 1066501272 /nfs/dbraw/zinc/50/12/72/1066501272.db2.gz LMXTWDXWJRFNFS-UYAOXDASSA-N -1 0 454.514 4.973 20 0 JJADRM Cc1ccccc1O[C@H](C)CNC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1 ZINC001444806208 1066506693 /nfs/dbraw/zinc/50/66/93/1066506693.db2.gz CTQNIVNNOUKTPB-QGZVFWFLSA-N -1 0 458.967 4.647 20 0 JJADRM COC[C@H](NC(=O)c1nn(-c2ccc(Cl)cc2C(F)(F)F)cc1[O-])c1ccc(F)cc1 ZINC001444857328 1066513568 /nfs/dbraw/zinc/51/35/68/1066513568.db2.gz UADASVOJQBMPEB-HNNXBMFYSA-N -1 0 457.811 4.507 20 0 JJADRM CC[C@@H](CNC(=O)c1cc(Br)c([O-])c(Br)c1)Oc1ccccc1C ZINC001444931768 1066518853 /nfs/dbraw/zinc/51/88/53/1066518853.db2.gz LVGHZUSRVAYMFT-ZDUSSCGKSA-N -1 0 457.162 4.813 20 0 JJADRM O=C(NC[C@@H]1SCCc2ccccc21)c1cc(Br)c([O-])c(Br)c1 ZINC001444945803 1066521024 /nfs/dbraw/zinc/52/10/24/1066521024.db2.gz BZSZWTVQLMLSCU-HNNXBMFYSA-N -1 0 457.187 4.678 20 0 JJADRM CC(C)Cn1cc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3nccs3)c2)c2ccccc21 ZINC001445084665 1066538050 /nfs/dbraw/zinc/53/80/50/1066538050.db2.gz UWWCSPWPKARUJO-UHFFFAOYSA-N -1 0 454.577 4.807 20 0 JJADRM CC(C)[C@@H](CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1)c1cccnc1 ZINC001445293557 1066555410 /nfs/dbraw/zinc/55/54/10/1066555410.db2.gz VZNMAWPVYUCPGY-OAQYLSRUSA-N -1 0 457.983 4.705 20 0 JJADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N[C@@H](C)c3noc(-c4ccc(Cl)cc4)n3)n2)cc1 ZINC001445436188 1066571058 /nfs/dbraw/zinc/57/10/58/1066571058.db2.gz ACBSRMCRAGEHBE-AWEZNQCLSA-N -1 0 451.914 4.896 20 0 JJADRM CC(C)(C)OC(=O)NCCCc1ccc(OCC(=O)Nc2ccc3[n-]c(=S)oc3c2)cc1 ZINC001445619029 1066595731 /nfs/dbraw/zinc/59/57/31/1066595731.db2.gz XYXNXIQLDVBCKX-UHFFFAOYSA-N -1 0 457.552 4.591 20 0 JJADRM O=C(c1cc(Br)c([O-])c(Br)c1)N1CCC(c2ccc(O)cc2)CC1 ZINC001445638195 1066596880 /nfs/dbraw/zinc/59/68/80/1066596880.db2.gz QFCAZLPBALNNFX-UHFFFAOYSA-N -1 0 455.146 4.643 20 0 JJADRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)N3CC[C@H](Oc4ccc(Cl)c(Cl)c4)C3)n2)c1 ZINC001445857154 1066627093 /nfs/dbraw/zinc/62/70/93/1066627093.db2.gz AMDGJEIVMXLKFN-AWEZNQCLSA-N -1 0 450.297 4.626 20 0 JJADRM CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(C(=O)c3cc(F)c(F)c([O-])c3F)CC2)CC1 ZINC001456617942 1066646240 /nfs/dbraw/zinc/64/62/40/1066646240.db2.gz HVEZRJYGDCAHBD-CQSZACIVSA-N -1 0 456.505 4.699 20 0 JJADRM O=C(c1nn(-c2cccc(Cl)c2)cc1[O-])N(Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC001446085866 1066657464 /nfs/dbraw/zinc/65/74/64/1066657464.db2.gz JVBWANJHCSCRIY-FQEVSTJZSA-N -1 0 453.951 4.669 20 0 JJADRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)N2CC(C)(C)[C@H]3CCC[C@H]32)c1 ZINC001456829854 1066702359 /nfs/dbraw/zinc/70/23/59/1066702359.db2.gz ZHOLZYHZNJAHJU-AZUAARDMSA-N -1 0 462.999 4.800 20 0 JJADRM CCCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccc(Cl)cc1[O-] ZINC001446532309 1066717083 /nfs/dbraw/zinc/71/70/83/1066717083.db2.gz XPZSKRBSRBHZFK-UHFFFAOYSA-N -1 0 453.992 4.540 20 0 JJADRM CC[C@H]1c2ccccc2CN1C(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1[O-] ZINC001457001351 1066739037 /nfs/dbraw/zinc/73/90/37/1066739037.db2.gz KONFSUXPIHLSHV-NRFANRHFSA-N -1 0 456.951 4.954 20 0 JJADRM Cc1ccc(C2=CCN(C(=O)c3ccsc3NC(=O)c3ccc(Cl)cc3[O-])CC2)cn1 ZINC001446862310 1066749528 /nfs/dbraw/zinc/74/95/28/1066749528.db2.gz ADFLTJOKAVXLPU-UHFFFAOYSA-N -1 0 453.951 4.992 20 0 JJADRM C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)c1cccc([N-]S(=O)(=O)C(F)(F)F)c1 ZINC001447055942 1066770246 /nfs/dbraw/zinc/77/02/46/1066770246.db2.gz UBGMKFWSEZAGDY-SNVBAGLBSA-N -1 0 455.285 4.616 20 0 JJADRM CC(C)(C)OC(=O)N1CCC(Cc2ncc(C(=O)Nc3cccc(Cl)c3[O-])s2)CC1 ZINC001447062141 1066770314 /nfs/dbraw/zinc/77/03/14/1066770314.db2.gz JUCURDSFBZBDFX-UHFFFAOYSA-N -1 0 451.976 4.944 20 0 JJADRM CSc1ccc(N2C[C@@H](C(=O)Nc3cc(Cl)cc(Br)c3[O-])CC2=O)cc1 ZINC001447086057 1066771864 /nfs/dbraw/zinc/77/18/64/1066771864.db2.gz ANJVHHUWXLQNQR-JTQLQIEISA-N -1 0 455.761 4.522 20 0 JJADRM CCc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3OC)ccc2C)cc1 ZINC001447163074 1066779183 /nfs/dbraw/zinc/77/91/83/1066779183.db2.gz JIHWOTYYBFZPKT-GOSISDBHSA-N -1 0 452.576 4.858 20 0 JJADRM O=C(N[C@H](c1cccc(F)c1)c1ccccn1)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC001447258303 1066785522 /nfs/dbraw/zinc/78/55/22/1066785522.db2.gz AOKXKTGAYMSLGT-HXUWFJFHSA-N -1 0 456.399 4.650 20 0 JJADRM O=C(NC[C@H]1C[C@@H]1Cc1ccccc1)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC001457208164 1066790415 /nfs/dbraw/zinc/79/04/15/1066790415.db2.gz LFACVIRXSUADIL-RBUKOAKNSA-N -1 0 454.979 4.749 20 0 JJADRM C[C@H]1COc2ccccc2CN1C(=O)c1nn(-c2ccc(Cl)cc2C(F)(F)F)cc1[O-] ZINC001447607483 1066828074 /nfs/dbraw/zinc/82/80/74/1066828074.db2.gz LTAMDEYXZBWNBU-LBPRGKRZSA-N -1 0 451.832 4.673 20 0 JJADRM O=C(NCCCOCc1ccccc1)c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1[O-] ZINC001457480850 1066840643 /nfs/dbraw/zinc/84/06/43/1066840643.db2.gz SHSDLQWTSFQPDK-UHFFFAOYSA-N -1 0 454.741 4.875 20 0 JJADRM COc1ccc(NC(=O)C(C)(C)c2ccc(C)cc2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC001457501562 1066844237 /nfs/dbraw/zinc/84/42/37/1066844237.db2.gz AIRMTNWNWNUCNZ-UHFFFAOYSA-N -1 0 456.539 4.860 20 0 JJADRM O=C(Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1ocnc1C1CC1 ZINC001457505725 1066845521 /nfs/dbraw/zinc/84/55/21/1066845521.db2.gz XQZLNZFXKJMEBF-UHFFFAOYSA-N -1 0 452.319 4.912 20 0 JJADRM O=C(Nc1ncc(C([O-])(C(F)(F)F)C(F)(F)F)s1)c1cccc(-c2cscn2)c1 ZINC001457525731 1066851629 /nfs/dbraw/zinc/85/16/29/1066851629.db2.gz MUSHAZGAYXSWLH-UHFFFAOYSA-N -1 0 453.389 4.831 20 0 JJADRM C[C@@H](C(=O)Nc1ncc(C([O-])(C(F)(F)F)C(F)(F)F)s1)c1cn(C)c2ccccc12 ZINC001457527620 1066852241 /nfs/dbraw/zinc/85/22/41/1066852241.db2.gz UYWQGTFPIMKLLU-SECBINFHSA-N -1 0 451.392 4.689 20 0 JJADRM CC[C@@H](NC(=O)c1nn(-c2cc(C)ccc2F)cc1[O-])c1cc(F)cc(Br)c1 ZINC001447905148 1066875447 /nfs/dbraw/zinc/87/54/47/1066875447.db2.gz OWRSQLSQIXEOPC-MRXNPFEDSA-N -1 0 450.283 4.808 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2CCCC3(CCCCC3)C2)ccc1C ZINC001457621902 1066882714 /nfs/dbraw/zinc/88/27/14/1066882714.db2.gz VSYGTTBEIQQJSA-UHFFFAOYSA-N -1 0 456.608 4.991 20 0 JJADRM CC(C)C[C@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c2ncccn2)c1)c1ccc(Cl)cc1 ZINC001448007370 1066890043 /nfs/dbraw/zinc/89/00/43/1066890043.db2.gz LQEXKETUFQZVGI-FQEVSTJZSA-N -1 0 458.971 4.699 20 0 JJADRM CC[C@@H]1CCC[C@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)C1 ZINC001457650757 1066890265 /nfs/dbraw/zinc/89/02/65/1066890265.db2.gz NQQLJENIOWJDJJ-QAPCUYQASA-N -1 0 450.988 4.848 20 0 JJADRM Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(C)c(OCCC(C)C)c3)c2)no1 ZINC001457656829 1066890830 /nfs/dbraw/zinc/89/08/30/1066890830.db2.gz DTMUQBJLLVFCQX-UHFFFAOYSA-N -1 0 457.552 4.769 20 0 JJADRM CO[C@@H](CNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)c(Cl)cc1Cl)C(C)C ZINC001457672539 1066894916 /nfs/dbraw/zinc/89/49/16/1066894916.db2.gz WZDNZHQKUGZLPQ-SFHVURJKSA-N -1 0 459.395 4.503 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](CC(C)C)C2)ccc1Cl ZINC001457686657 1066897759 /nfs/dbraw/zinc/89/77/59/1066897759.db2.gz YUTDZDPDPIQHTM-MRXNPFEDSA-N -1 0 450.988 4.658 20 0 JJADRM O=C(Nc1ccc2[nH]c(C(F)(F)C(F)(F)F)nc2c1)c1ccc(Br)c([O-])c1 ZINC001457709064 1066901207 /nfs/dbraw/zinc/90/12/07/1066901207.db2.gz MKDFWIIADGFZQA-UHFFFAOYSA-N -1 0 450.161 4.937 20 0 JJADRM O=C(c1cc(Br)cc(Cl)c1[O-])N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC001457730821 1066905605 /nfs/dbraw/zinc/90/56/05/1066905605.db2.gz KDWUCJSOKCLXGL-UHFFFAOYSA-N -1 0 452.658 4.501 20 0 JJADRM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)N1Cc2ccccc2C(C)(C)C1 ZINC001457734753 1066906733 /nfs/dbraw/zinc/90/67/33/1066906733.db2.gz MWTBFFYPUJXCTP-UHFFFAOYSA-N -1 0 452.551 4.869 20 0 JJADRM Cc1sc2nc(CCC(=O)Nc3cc(Br)cc(Cl)c3[O-])[nH]c(=O)c2c1C ZINC001457736287 1066907039 /nfs/dbraw/zinc/90/70/39/1066907039.db2.gz SLFCSIMZNWDUMH-UHFFFAOYSA-N -1 0 456.749 4.707 20 0 JJADRM CC[C@@H](CN(C)C(=O)c1ccc2c(=O)[nH]c(=S)[n-]c2c1)Oc1ccc(Cl)c(Cl)c1 ZINC001457745909 1066909864 /nfs/dbraw/zinc/90/98/64/1066909864.db2.gz QXZKKYSEWACCJB-LBPRGKRZSA-N -1 0 452.363 4.861 20 0 JJADRM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1c(CC)onc1-c1ccccc1 ZINC001457789648 1066921341 /nfs/dbraw/zinc/92/13/41/1066921341.db2.gz OTXMDJXOVFBHPG-OAQYLSRUSA-N -1 0 458.562 4.757 20 0 JJADRM Cc1cc(C(=O)Nc2nc(Cc3ccccc3)cs2)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC001546094510 1066930106 /nfs/dbraw/zinc/93/01/06/1066930106.db2.gz NKBUVQQUNDFNTF-UHFFFAOYSA-N -1 0 455.483 4.556 20 0 JJADRM CC(C)OCc1cc(NC(=O)c2ccc(-n3[n-]c(Cc4ccccc4)cc3=O)cc2)ccc1O ZINC001457852025 1066932182 /nfs/dbraw/zinc/93/21/82/1066932182.db2.gz HYTIMJVKHLUVPW-UHFFFAOYSA-N -1 0 457.530 4.905 20 0 JJADRM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H]3C[C@H]3CC(C)C)ccc2Cl)cc1 ZINC001457853528 1066932395 /nfs/dbraw/zinc/93/23/95/1066932395.db2.gz NPCOQVDLVUOXGB-OXQOHEQNSA-N -1 0 450.988 4.704 20 0 JJADRM COCCCCN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)c1 ZINC001457873165 1066934577 /nfs/dbraw/zinc/93/45/77/1066934577.db2.gz XURFLVUIMWQSGR-UHFFFAOYSA-N -1 0 459.395 4.601 20 0 JJADRM COc1ccccc1CO[N-]C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1C(F)(F)F ZINC001448583973 1066940162 /nfs/dbraw/zinc/94/01/62/1066940162.db2.gz CKOKYFKDWROSLN-SFHVURJKSA-N -1 0 454.445 4.528 20 0 JJADRM COc1ccccc1CO[N-]C(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1C(F)(F)F ZINC001448583963 1066940277 /nfs/dbraw/zinc/94/02/77/1066940277.db2.gz CKOKYFKDWROSLN-GOSISDBHSA-N -1 0 454.445 4.528 20 0 JJADRM CCN(C)[C@@H](C(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2)c(F)cc1C)c1ccccc1 ZINC001448617163 1066942448 /nfs/dbraw/zinc/94/24/48/1066942448.db2.gz BPSFVQJUIWFTBT-HSZRJFAPSA-N -1 0 455.555 4.566 20 0 JJADRM O=C(Nc1cccc(CN2CCCS2(=O)=O)c1)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC001457941227 1066944240 /nfs/dbraw/zinc/94/42/40/1066944240.db2.gz PZFBOZOUHAMDFU-UHFFFAOYSA-N -1 0 456.951 4.500 20 0 JJADRM Cc1c(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2C)cnn1C1CCCC1 ZINC001448624571 1066944794 /nfs/dbraw/zinc/94/47/94/1066944794.db2.gz ZQZGJDVXAJCZQT-UHFFFAOYSA-N -1 0 456.543 4.807 20 0 JJADRM COc1cccc2c1[C@@H](C(=O)Nc1cc(S(=O)(=O)[N-]c3ccccc3)c(F)cc1C)CC2 ZINC001448623433 1066944863 /nfs/dbraw/zinc/94/48/63/1066944863.db2.gz RGXAEVLFQJRFHC-SFHVURJKSA-N -1 0 454.523 4.612 20 0 JJADRM O=C(c1cc(Br)cc(Cl)c1[O-])N1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC001457973490 1066950064 /nfs/dbraw/zinc/95/00/64/1066950064.db2.gz XXFQZPOIWSBFSP-UHFFFAOYSA-N -1 0 454.752 4.554 20 0 JJADRM O=C(N[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]12)c1cc(Br)cc(Cl)c1[O-] ZINC001457984222 1066951961 /nfs/dbraw/zinc/95/19/61/1066951961.db2.gz YKOXVVYEPIAYGU-NILFDRSVSA-N -1 0 457.549 4.639 20 0 JJADRM C[C@H]1C[C@@H](CCNC(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2ccco2)c3=O)CC(C)(C)C1 ZINC001448715640 1066952577 /nfs/dbraw/zinc/95/25/77/1066952577.db2.gz AIEFURFHDFMKCF-DLBZAZTESA-N -1 0 453.608 4.909 20 0 JJADRM CO[C@H]1CCOc2c(NC(=O)c3cc(Br)c([O-])c(Br)c3)cccc21 ZINC001448755516 1066955931 /nfs/dbraw/zinc/95/59/31/1066955931.db2.gz QSLZZUKAULIFQF-AWEZNQCLSA-N -1 0 457.118 4.640 20 0 JJADRM C[C@@H](NC(=O)c1nn(-c2c(Cl)cc(Cl)cc2Cl)cc1[O-])c1ccc2c(c1)CCO2 ZINC001458022518 1066957664 /nfs/dbraw/zinc/95/76/64/1066957664.db2.gz IFAXMYTULVGCNV-SNVBAGLBSA-N -1 0 452.725 4.964 20 0 JJADRM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)N(C)c1cccc2c1CCCN2 ZINC001448802847 1066958464 /nfs/dbraw/zinc/95/84/64/1066958464.db2.gz WVPLTLNADKGEIB-UHFFFAOYSA-N -1 0 453.539 4.570 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N2C[C@@H](C(C)C)c3ccccc32)c1 ZINC001448840162 1066962196 /nfs/dbraw/zinc/96/21/96/1066962196.db2.gz HPZPNFCWQDLZSM-NRFANRHFSA-N -1 0 450.560 4.896 20 0 JJADRM C[C@@]1(CNC(=O)c2ccccc2[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)CCCS1 ZINC001545723419 1066979249 /nfs/dbraw/zinc/97/92/49/1066979249.db2.gz XZKOUXHBQFUXMW-IBGZPJMESA-N -1 0 458.527 4.522 20 0 JJADRM COc1ccccc1C(=O)C(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2[O-])c(Cl)c1 ZINC001449128870 1066984645 /nfs/dbraw/zinc/98/46/45/1066984645.db2.gz FTEOBTDVCAGDFQ-UHFFFAOYSA-N -1 0 459.285 4.781 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2sc(C)nc2CC(C)C)c1 ZINC001545742684 1067008871 /nfs/dbraw/zinc/00/88/71/1067008871.db2.gz UQTYERHXQBIIBT-UHFFFAOYSA-N -1 0 459.593 4.712 20 0 JJADRM O=C(c1nn(-c2cccc(Cl)c2)cc1[O-])N1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC001450023006 1067042314 /nfs/dbraw/zinc/04/23/14/1067042314.db2.gz DUCGDRGPRZVCRA-UHFFFAOYSA-N -1 0 456.877 4.726 20 0 JJADRM CCC(=O)c1ccc([O-])c(NC(=O)c2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)c1 ZINC001450218126 1067060753 /nfs/dbraw/zinc/06/07/53/1067060753.db2.gz NRVLZZXQDQQDAT-UHFFFAOYSA-N -1 0 452.532 4.655 20 0 JJADRM O=c1[n-]c(CSc2nnc(-c3ccccc3Cl)n2-c2cccc(C(F)(F)F)c2)n[nH]1 ZINC001458725725 1067118885 /nfs/dbraw/zinc/11/88/85/1067118885.db2.gz BFUOKMKKMULQEP-UHFFFAOYSA-N -1 0 452.849 4.723 20 0 JJADRM C[C@@H]1CCC(C)(C)N1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC001451071582 1067144762 /nfs/dbraw/zinc/14/47/62/1067144762.db2.gz YLAWVMUYXVGCPL-GFCCVEGCSA-N -1 0 457.415 4.715 20 0 JJADRM CCO[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC001451428047 1067170722 /nfs/dbraw/zinc/17/07/22/1067170722.db2.gz ZRUNTLNQKPLBNH-WOJBJXKFSA-N -1 0 450.988 4.527 20 0 JJADRM COc1ccc(CN(C)C(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC001451631993 1067181150 /nfs/dbraw/zinc/18/11/50/1067181150.db2.gz HSKAJPHRNNUWNQ-UHFFFAOYSA-N -1 0 458.967 4.730 20 0 JJADRM CC1(C)CC[C@H](CNC(=O)c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c2ccccc21 ZINC001545833430 1067183607 /nfs/dbraw/zinc/18/36/07/1067183607.db2.gz XYFKUFSKTKWPJS-QGZVFWFLSA-N -1 0 455.605 4.529 20 0 JJADRM Cc1cc(C(=O)N2CCC[C@@]2(C)Cc2ccc(F)cc2)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC001451806414 1067192666 /nfs/dbraw/zinc/19/26/66/1067192666.db2.gz XSOKOSDKUZNRMA-FQEVSTJZSA-N -1 0 458.477 4.633 20 0 JJADRM CCc1c([O-])nc(SCC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)n(-c2ccccc2C)c1=O ZINC001458944587 1067204228 /nfs/dbraw/zinc/20/42/28/1067204228.db2.gz HRDWFQFNFLRVIT-GJZGRUSLSA-N -1 0 454.514 4.839 20 0 JJADRM CCCO[N-]C(=O)CN(CCc1ccccc1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001452281136 1067218396 /nfs/dbraw/zinc/21/83/96/1067218396.db2.gz ICLBSCRNDGHSCX-UHFFFAOYSA-N -1 0 458.558 4.938 20 0 JJADRM Cc1c[nH]c(-c2ccc(NC(=O)c3cc(Br)c([O-])c(Br)c3)cc2)n1 ZINC001452563009 1067234799 /nfs/dbraw/zinc/23/47/99/1067234799.db2.gz MBKYPIOOYKYDSY-UHFFFAOYSA-N -1 0 451.118 4.868 20 0 JJADRM Cc1ccc2ccnc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3cc(F)ccc3F)c2c1 ZINC001452613356 1067237418 /nfs/dbraw/zinc/23/74/18/1067237418.db2.gz FZOQZBOBVOWYJE-UHFFFAOYSA-N -1 0 453.470 4.875 20 0 JJADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCN(c4ccc(Cl)cc4Cl)CC3)n2)c1 ZINC001452992467 1067271621 /nfs/dbraw/zinc/27/16/21/1067271621.db2.gz CNOQXECZUAAOAR-UHFFFAOYSA-N -1 0 459.377 4.971 20 0 JJADRM C[C@@H](C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H]([N-]C(=O)C(F)(F)F)C1)c1cc2ccccc2o1 ZINC001453125561 1067281437 /nfs/dbraw/zinc/28/14/37/1067281437.db2.gz KATYDVHFQFCGDI-CCKFTAQKSA-N -1 0 462.443 4.739 20 0 JJADRM O=C([N-][C@H]1CN(C(=O)c2cscc2C(F)F)CC[C@H]1c1ccc(F)cc1)C(F)(F)F ZINC001453129270 1067281934 /nfs/dbraw/zinc/28/19/34/1067281934.db2.gz MDAAUFJOVLQQHV-WFASDCNBSA-N -1 0 450.404 4.502 20 0 JJADRM COc1cc(C)c(C)cc1NC(=O)c1ccc2c(c1)[n-]c(=S)n(CCc1ccccc1)c2=O ZINC001453304091 1067295925 /nfs/dbraw/zinc/29/59/25/1067295925.db2.gz NYADDNMTCCRESV-UHFFFAOYSA-N -1 0 459.571 4.806 20 0 JJADRM O=C(NCc1cc(Cl)ccc1I)c1cccc(C(F)(F)F)c1[O-] ZINC001453349774 1067300029 /nfs/dbraw/zinc/30/00/29/1067300029.db2.gz VMTKVKXZTOEHRC-UHFFFAOYSA-N -1 0 455.601 4.599 20 0 JJADRM Cc1cc(C(=O)N2C[C@@H]([N-]C(=O)C(F)(F)F)CC[C@H]2C(F)(F)F)c(C)n1C1CCCCC1 ZINC001453448142 1067306822 /nfs/dbraw/zinc/30/68/22/1067306822.db2.gz XXDXLBNSSDSQJA-YOEHRIQHSA-N -1 0 467.454 4.824 20 0 JJADRM O=C(NCC1(Cc2ccc(Br)cc2)CC1)c1cc(Br)cc(F)c1[O-] ZINC001453552915 1067314461 /nfs/dbraw/zinc/31/44/61/1067314461.db2.gz FAHNMQKWCGRSLQ-UHFFFAOYSA-N -1 0 457.137 4.809 20 0 JJADRM O=C(Cc1cc(Cl)ccc1Cl)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC001453685781 1067322170 /nfs/dbraw/zinc/32/21/70/1067322170.db2.gz UICRKWXZZKCXFF-SJLPKXTDSA-N -1 0 459.295 4.599 20 0 JJADRM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)COc2ccc(Oc3ccccc3)cc2)c1 ZINC001460035164 1067535712 /nfs/dbraw/zinc/53/57/12/1067535712.db2.gz AOFPTMLFHAVQNW-UHFFFAOYSA-N -1 0 458.436 4.983 20 0 JJADRM COc1ccc(-c2cc3[n-]c(CN(C)Cc4ccc(OC)c(Cl)c4)nc(=O)c3s2)cc1 ZINC001460253023 1067591884 /nfs/dbraw/zinc/59/18/84/1067591884.db2.gz ACRISSTZHUEFLO-UHFFFAOYSA-N -1 0 455.967 4.954 20 0 JJADRM O=C([N-][C@H]1CN(Cc2ncc(-c3cccs3)o2)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC001460358688 1067617396 /nfs/dbraw/zinc/61/73/96/1067617396.db2.gz ATXGUXZLGDPCSA-HOTGVXAUSA-N -1 0 453.461 4.579 20 0 JJADRM O=C([N-][C@H]1CN(Cc2cc(-c3ccc(F)cc3)no2)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC001460368083 1067620046 /nfs/dbraw/zinc/62/00/46/1067620046.db2.gz VIPOKCMLPUYXOZ-FPOVZHCZSA-N -1 0 465.422 4.656 20 0 JJADRM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc4cccc(Cl)c4s3)cc2)n1 ZINC001460626546 1067676738 /nfs/dbraw/zinc/67/67/38/1067676738.db2.gz OWVXFBYRYJNBIW-UHFFFAOYSA-N -1 0 458.952 4.706 20 0 JJADRM CS(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)Nc1cnc(-c2ccc(Cl)s2)nc1 ZINC001461130737 1067786999 /nfs/dbraw/zinc/78/69/99/1067786999.db2.gz WYQZENYEZRCDTR-UHFFFAOYSA-N -1 0 458.952 4.636 20 0 JJADRM CCCCOc1ccc(C(=O)N2CC[C@@H](c3cccc(F)c3)[C@@H]([N-]C(=O)C(F)(F)F)C2)cc1 ZINC001461415512 1067850468 /nfs/dbraw/zinc/85/04/68/1067850468.db2.gz BNIYXWYVVWRAPH-SFTDATJTSA-N -1 0 466.475 4.681 20 0 JJADRM O=C([N-][C@H]1CN(C(=O)c2ncsc2-c2ccccc2)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC001461415551 1067850494 /nfs/dbraw/zinc/85/04/94/1067850494.db2.gz BOYHNWNXYWPXQS-ROUUACIJSA-N -1 0 477.483 4.626 20 0 JJADRM Cc1cc(C(=O)N2CC[C@@H](c3cccc(F)c3)[C@@H]([N-]C(=O)C(F)(F)F)C2)c2nccc(C)c2c1 ZINC001461419534 1067851633 /nfs/dbraw/zinc/85/16/33/1067851633.db2.gz OEUYSGXJFJBZTM-RXVVDRJESA-N -1 0 473.470 4.668 20 0 JJADRM Cc1ccc(CCCCC(=O)N2CC[C@@H](c3cccc(F)c3)[C@@H]([N-]C(=O)C(F)(F)F)C2)cc1 ZINC001461420921 1067852635 /nfs/dbraw/zinc/85/26/35/1067852635.db2.gz UEUSVHPRPWLWGL-VXKWHMMOSA-N -1 0 464.503 4.910 20 0 JJADRM O=C(CCCc1ccc2ccccc2c1)N1C[C@@H]([N-]C(=O)C(F)(F)F)CC[C@H]1C(F)(F)F ZINC001461573939 1067891682 /nfs/dbraw/zinc/89/16/82/1067891682.db2.gz HMGHRCINJFQJIZ-ROUUACIJSA-N -1 0 460.418 4.763 20 0 JJADRM CCOc1ccc(CCC2CCN(S(=O)(=O)c3cc(C(F)(F)F)ccc3[O-])CC2)cc1 ZINC001462776305 1068164888 /nfs/dbraw/zinc/16/48/88/1068164888.db2.gz NAKCAPVJRMYKOR-UHFFFAOYSA-N -1 0 457.514 4.843 20 0 JJADRM CC(C)(C)c1ccc(N2CCC(NS(=O)(=O)c3cc(C(F)(F)F)ccc3[O-])CC2)cc1 ZINC001462912063 1068212271 /nfs/dbraw/zinc/21/22/71/1068212271.db2.gz ZMOUXFRXAHFFLC-UHFFFAOYSA-N -1 0 456.530 4.656 20 0 JJADRM CC(C)COC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F)c1ccco1 ZINC001462994059 1068242757 /nfs/dbraw/zinc/24/27/57/1068242757.db2.gz WRRIWNPBCMXLOI-CQSZACIVSA-N -1 0 454.745 4.527 20 0 JJADRM CC(C)C[C@@H]([N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl)c1ccc(Cl)cc1 ZINC001463152792 1068305140 /nfs/dbraw/zinc/30/51/40/1068305140.db2.gz HAABZDXWPDFODO-CYBMUJFWSA-N -1 0 456.438 4.524 20 0 JJADRM Cc1c(Br)cccc1CS(=O)(=O)[N-][C@@H](CCc1ccccc1)C(F)(F)F ZINC001463415660 1068390813 /nfs/dbraw/zinc/39/08/13/1068390813.db2.gz XWJVXOIQOBVHOB-KRWDZBQOSA-N -1 0 450.320 4.741 20 0 JJADRM COC(=O)c1cc(Br)c(S(=O)(=O)[N-][C@H](CC2CCC2)c2ccccc2)s1 ZINC001463428985 1068394502 /nfs/dbraw/zinc/39/45/02/1068394502.db2.gz FQMHMJZLCDBPLD-OAHLLOKOSA-N -1 0 458.399 4.507 20 0 JJADRM C[C@H](Cc1c(Cl)cccc1Cl)[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC001463437075 1068397295 /nfs/dbraw/zinc/39/72/95/1068397295.db2.gz WOHCKTVZCDWFQC-MRVPVSSYSA-N -1 0 459.139 4.944 20 0 JJADRM C[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3)c(F)c2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001463470328 1068412320 /nfs/dbraw/zinc/41/23/20/1068412320.db2.gz VWJHGMRRKOBCBB-PXAZEXFGSA-N -1 0 458.839 4.801 20 0 JJADRM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)Nc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC001463558543 1068441880 /nfs/dbraw/zinc/44/18/80/1068441880.db2.gz AIUZXTFHASBQIO-SJBDTSRBSA-N -1 0 457.379 4.792 20 0 JJADRM C/C=C(/CC)C(=O)Nc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC001463590209 1068458879 /nfs/dbraw/zinc/45/88/79/1068458879.db2.gz NFFTUZGQDJKBFX-PQMHYQBVSA-N -1 0 453.358 4.553 20 0 JJADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N(C)CCOc3ccc(Br)cc3)n2)c1 ZINC001463643336 1068478972 /nfs/dbraw/zinc/47/89/72/1068478972.db2.gz LEQMIFQYRQGAFW-UHFFFAOYSA-N -1 0 458.356 4.615 20 0 JJADRM COc1ccc([C@@H]2CCCCCN2C(=O)c2cccc(I)c2[O-])cc1 ZINC001463849763 1068547807 /nfs/dbraw/zinc/54/78/07/1068547807.db2.gz VBGNMXHOBGQCFE-SFHVURJKSA-N -1 0 451.304 4.763 20 0 JJADRM CCN(Cc1ccccc1C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC001464064033 1068603612 /nfs/dbraw/zinc/60/36/12/1068603612.db2.gz JRPVZXQWYXUIBN-UHFFFAOYSA-N -1 0 456.539 4.606 20 0 JJADRM CCN(C(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC)c1)C1CCCCC1 ZINC001464068356 1068604212 /nfs/dbraw/zinc/60/42/12/1068604212.db2.gz WQMJMXHNMUQQRK-UHFFFAOYSA-N -1 0 450.988 4.944 20 0 JJADRM CCc1ccccc1-n1cc([O-])c(C(=O)N(Cc2ccc(OC(F)F)c(OC)c2)C2CC2)n1 ZINC001464156924 1068636410 /nfs/dbraw/zinc/63/64/10/1068636410.db2.gz NPHIFJFVFXGKGW-UHFFFAOYSA-N -1 0 457.477 4.555 20 0 JJADRM Cc1nc(CC(C)C)c(C(=O)Nc2ccc(F)c([N-]S(=O)(=O)c3cccs3)c2)s1 ZINC001464224102 1068664310 /nfs/dbraw/zinc/66/43/10/1068664310.db2.gz HYAMPHVKBZZXIC-UHFFFAOYSA-N -1 0 453.586 4.904 20 0 JJADRM CC(C)(C)[C@@H]1CCc2nc(NC(=O)c3cccc(I)c3[O-])sc2C1 ZINC001546145357 1068669801 /nfs/dbraw/zinc/66/98/01/1068669801.db2.gz JAQFGCBWZQNFKL-SNVBAGLBSA-N -1 0 456.349 4.857 20 0 JJADRM O=C(Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1)Nc1cc(CC2CCCCC2)[nH]n1 ZINC001464348479 1068714394 /nfs/dbraw/zinc/71/43/94/1068714394.db2.gz HLACVGKRQRZRBG-UHFFFAOYSA-N -1 0 458.609 4.576 20 0 JJADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2cccc(OCC(C)C)c2)cc1 ZINC001464423403 1068740419 /nfs/dbraw/zinc/74/04/19/1068740419.db2.gz YJBNNZGAMZQZGO-UHFFFAOYSA-N -1 0 452.576 4.761 20 0 JJADRM CCOc1cc(Br)c(NC(=O)c2ccc(Br)cc2[O-])cc1OCC ZINC001464445745 1068748169 /nfs/dbraw/zinc/74/81/69/1068748169.db2.gz QTDOJOVZPIFPNZ-UHFFFAOYSA-N -1 0 459.134 4.967 20 0 JJADRM C[C@H](NC(=O)c1cc(F)c(Cl)cc1F)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC001545852927 1064262736 /nfs/dbraw/zinc/26/27/36/1064262736.db2.gz BQZXMWHGLRJLLQ-NSHDSACASA-N -1 0 456.923 4.972 20 0 JJADRM C[C@@H](CSC(F)(F)F)C(=O)N[C@H](C)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC001545853547 1064263117 /nfs/dbraw/zinc/26/31/17/1064263117.db2.gz OSSOAYZBGAVCRA-NWDGAFQWSA-N -1 0 452.545 4.615 20 0 JJADRM C[C@H](NC(=O)Cc1ccc(F)c(Cl)c1)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC001545853477 1064263235 /nfs/dbraw/zinc/26/32/35/1064263235.db2.gz MVEAJHCWJAQIGR-ZDUSSCGKSA-N -1 0 452.960 4.761 20 0 JJADRM C[C@H](NC(=O)Cc1cccc(C(F)F)c1)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC001545853765 1064263253 /nfs/dbraw/zinc/26/32/53/1064263253.db2.gz SQJGXSOYZGJXPP-AWEZNQCLSA-N -1 0 450.532 4.906 20 0 JJADRM CC(=O)c1cc(F)c([N-]C(=O)c2nc(-c3ccccc3)n(-c3ccc(F)cc3)n2)c(F)c1F ZINC001435598510 1064863499 /nfs/dbraw/zinc/86/34/99/1064863499.db2.gz WAQRPBQLPKLBIS-UHFFFAOYSA-N -1 0 454.383 4.946 20 0 JJADRM O=C([N-]c1nnc(Cc2cccc(F)c2)s1)c1cc(-c2ccc(Br)cc2)no1 ZINC001360121664 1065010937 /nfs/dbraw/zinc/01/09/37/1065010937.db2.gz DHTOIOONQGBDFE-UHFFFAOYSA-N -1 0 459.300 4.938 20 0 JJADRM O=C(c1cccc(F)c1[O-])N(CCOc1cccc(Br)c1)C[C@@H]1CCCS1 ZINC001436130616 1065203782 /nfs/dbraw/zinc/20/37/82/1065203782.db2.gz CVKPKFGPFNUVTO-INIZCTEOSA-N -1 0 454.361 4.711 20 0 JJADRM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)c2cc(NC(=O)C(C)C)ccc2Cl)c1 ZINC001436240234 1065272165 /nfs/dbraw/zinc/27/21/65/1065272165.db2.gz GNUYSSOPWWLCNG-UHFFFAOYSA-N -1 0 455.864 4.674 20 0 JJADRM CC(C)(C)c1ccc(/C=C/C(=O)N2C[C@H]([N-]C(=O)C(F)(F)F)CC[C@H]2C(F)(F)F)cc1 ZINC001437129883 1065511292 /nfs/dbraw/zinc/51/12/92/1065511292.db2.gz IEJAJMCJJIGYLY-SNOKEQIZSA-N -1 0 450.423 4.598 20 0 JJADRM O=C([N-][C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2ccc(-c3cccs3)s2)C1)C(F)(F)F ZINC001437128230 1065511577 /nfs/dbraw/zinc/51/15/77/1065511577.db2.gz FSIDOZNTVFNECH-RNCFNFMXSA-N -1 0 456.433 4.691 20 0 JJADRM Cc1cc(C)c2cc(C(=O)N3CC[C@@H](c4cccc(F)c4)[C@@H]([N-]C(=O)C(F)(F)F)C3)sc2n1 ZINC001437471445 1065557409 /nfs/dbraw/zinc/55/74/09/1065557409.db2.gz AASPQTSXFRFOTA-WMZOPIPTSA-N -1 0 479.499 4.729 20 0 JJADRM C[C@H](Sc1ccc(F)cc1)C(=O)N1CC[C@@H](c2cccc(F)c2)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001437471519 1065557524 /nfs/dbraw/zinc/55/75/24/1065557524.db2.gz AUIDWNFSLCQINQ-AGRHKRQWSA-N -1 0 472.479 4.509 20 0 JJADRM C[C@@H](Sc1ccc(F)cc1)C(=O)N1CC[C@@H](c2cccc(F)c2)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001437471520 1065557598 /nfs/dbraw/zinc/55/75/98/1065557598.db2.gz AUIDWNFSLCQINQ-VMDGZTHMSA-N -1 0 472.479 4.509 20 0 JJADRM CCSc1ccc(CC(=O)N2CC[C@@H](c3cccc(F)c3)[C@@H]([N-]C(=O)C(F)(F)F)C2)cc1 ZINC001437474775 1065558559 /nfs/dbraw/zinc/55/85/59/1065558559.db2.gz KEEFVWQQPCASKW-PMACEKPBSA-N -1 0 468.516 4.543 20 0 JJADRM O=C([N-][C@H]1CN(C(=O)c2ccc3sccc3c2)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC001437475893 1065559521 /nfs/dbraw/zinc/55/95/21/1065559521.db2.gz OGICQFARMOMRMN-ROUUACIJSA-N -1 0 450.457 4.717 20 0 JJADRM O=C([N-][C@H]1CC[C@@H](C(F)(F)F)N(C(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)C1)C(F)(F)F ZINC001437706765 1065593951 /nfs/dbraw/zinc/59/39/51/1065593951.db2.gz UHBPBHOSKCAEIX-MLHJIOFPSA-N -1 0 458.402 4.544 20 0 JJADRM O=C(Nc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1)[C@@H]1C[C@H]1c1ccncc1 ZINC001440370152 1065933559 /nfs/dbraw/zinc/93/35/59/1065933559.db2.gz HIUNSISAMOQGMG-DLBZAZTESA-N -1 0 462.358 4.931 20 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COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cc4c([nH]3)CCCC4)ccc2Cl)cc1 ZINC001440755296 1065976305 /nfs/dbraw/zinc/97/63/05/1065976305.db2.gz YLUVBSVHBTVJQK-UHFFFAOYSA-N -1 0 459.955 4.609 20 0 JJADRM CCN(Cc1cccs1)C(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1[O-] ZINC001441042335 1066002526 /nfs/dbraw/zinc/00/25/26/1066002526.db2.gz YFAGOAKXVLKSNN-UHFFFAOYSA-N -1 0 450.969 4.570 20 0 JJADRM O=C(Cc1ccc(Cl)cn1)Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1F ZINC001441196205 1066014628 /nfs/dbraw/zinc/01/46/28/1066014628.db2.gz DXZXAABXXADDBD-UHFFFAOYSA-N -1 0 454.310 4.510 20 0 JJADRM COc1ccc(-n2cc([O-])c(C(=O)Nc3nc(C)c(Cc4ccccc4Cl)s3)n2)cc1 ZINC001441802729 1066070719 /nfs/dbraw/zinc/07/07/19/1066070719.db2.gz PXXUSQUCSIYZLE-UHFFFAOYSA-N -1 0 454.939 4.848 20 0 JJADRM C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2[n-]cnc2C(=O)c2ccccc2)cc1Cl ZINC001441819574 1066073623 /nfs/dbraw/zinc/07/36/23/1066073623.db2.gz IAHFCSMGLDKEJC-OAHLLOKOSA-N -1 0 450.926 4.561 20 0 JJADRM Cc1ccc(Nc2cccc(C(=O)Nc3ccccc3[N-]S(=O)(=O)c3ccccc3)c2)nn1 ZINC001442375773 1066121461 /nfs/dbraw/zinc/12/14/61/1066121461.db2.gz LOLGJTCQONGORM-UHFFFAOYSA-N -1 0 459.531 4.582 20 0 JJADRM CCOc1cccc([C@@H](C)NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2C)c1 ZINC001442506482 1066131972 /nfs/dbraw/zinc/13/19/72/1066131972.db2.gz VCNNFHFZDYTZDS-QGZVFWFLSA-N -1 0 456.539 4.825 20 0 JJADRM CC(C)(C)[C@H]1CCCC[C@@H]1CNC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccco1)c2=O ZINC001442755833 1066157089 /nfs/dbraw/zinc/15/70/89/1066157089.db2.gz OHWYIAOGPQOEFK-XLIONFOSSA-N -1 0 453.608 4.909 20 0 JJADRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)NCC(F)(F)c2ccccc2C)c1 ZINC001454053741 1066241002 /nfs/dbraw/zinc/24/10/02/1066241002.db2.gz AQMCMHNLIVZCIL-UHFFFAOYSA-N -1 0 458.530 4.934 20 0 JJADRM O=C(Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1)c1cc(Cl)cc(Cl)c1[O-] ZINC001442969636 1066247836 /nfs/dbraw/zinc/24/78/36/1066247836.db2.gz RVKHMWLROGJJFE-UHFFFAOYSA-N -1 0 454.317 4.848 20 0 JJADRM O=C(/C=C/c1ccccc1C(F)(F)F)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000201637628 1066250258 /nfs/dbraw/zinc/25/02/58/1066250258.db2.gz OKRGMMPNNPEEON-BJMVGYQFSA-N -1 0 453.467 4.615 20 0 JJADRM CCCOc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3OC)cc2)cc1C ZINC001454355793 1066275084 /nfs/dbraw/zinc/27/50/84/1066275084.db2.gz INUNZGAAGAXNFR-UHFFFAOYSA-N -1 0 454.548 4.846 20 0 JJADRM O=C([N-]Cc1cc(F)cc(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)c1)C(F)(F)F ZINC001454519621 1066295896 /nfs/dbraw/zinc/29/58/96/1066295896.db2.gz AAOIHYZPMSEFAA-UHFFFAOYSA-N -1 0 456.399 4.595 20 0 JJADRM O=C(Nc1cc(F)cc(OC(F)F)c1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC001455004939 1066351976 /nfs/dbraw/zinc/35/19/76/1066351976.db2.gz BVFOCKNCXLSKTL-UHFFFAOYSA-N -1 0 454.401 4.619 20 0 JJADRM CN(Cc1ccc(Oc2ccc(Cl)cc2Cl)cc1Cl)C(=O)CCCc1nnn[n-]1 ZINC001455271435 1066378061 /nfs/dbraw/zinc/37/80/61/1066378061.db2.gz GIOSKSQSZMVNRS-UHFFFAOYSA-N -1 0 454.745 4.934 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(OCC3CC3)cc2)cc1 ZINC001443897637 1066383345 /nfs/dbraw/zinc/38/33/45/1066383345.db2.gz NMXVUEVTPXKPIC-UHFFFAOYSA-N -1 0 452.532 4.537 20 0 JJADRM O=C(NCC1(c2cccc(F)c2)CCC1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC001455536508 1066406866 /nfs/dbraw/zinc/40/68/66/1066406866.db2.gz HRVSEHUCTKHCPU-UHFFFAOYSA-N -1 0 456.514 4.617 20 0 JJADRM Cc1c2cc(F)ccc2oc1CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC001444148586 1066418875 /nfs/dbraw/zinc/41/88/75/1066418875.db2.gz KCQWEOOYFKPJAH-UHFFFAOYSA-N -1 0 452.507 4.920 20 0 JJADRM CC[C@](C)(NC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1)c1ccccc1 ZINC001444159125 1066421896 /nfs/dbraw/zinc/42/18/96/1066421896.db2.gz XISUVYMIACLHJF-DEOSSOPVSA-N -1 0 456.539 4.690 20 0 JJADRM O=C(Nc1ccc(OCc2nnn[n-]2)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC001444204917 1066429147 /nfs/dbraw/zinc/42/91/47/1066429147.db2.gz ILGRMFSPMJBHSB-UHFFFAOYSA-N -1 0 451.939 4.977 20 0 JJADRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)N2C[C@H](C)CCC[C@H]2C)c1 ZINC001444212927 1066429893 /nfs/dbraw/zinc/42/98/93/1066429893.db2.gz ACWUGWYRHLNEBF-HZPDHXFCSA-N -1 0 450.988 4.800 20 0 JJADRM O=C(c1cc(Br)cc(Br)c1[O-])N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC001444249088 1066434416 /nfs/dbraw/zinc/43/44/16/1066434416.db2.gz QPRYXTFWNALBGO-GFCCVEGCSA-N -1 0 457.137 4.761 20 0 JJADRM CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC001444326863 1066449244 /nfs/dbraw/zinc/44/92/44/1066449244.db2.gz UPFFCXVEKYITGD-BUXKBTBVSA-N -1 0 453.848 4.756 20 0 JJADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N[C@H](C(=O)OC(C)(C)C)c3ccc(F)cc3)n2)cc1 ZINC001455944756 1066456883 /nfs/dbraw/zinc/45/68/83/1066456883.db2.gz LIQWWZIZTAFHAO-NRFANRHFSA-N -1 0 453.514 4.653 20 0 JJADRM Cc1cccc(NC2CCN(C(=O)c3cccc([N-]S(=O)(=O)c4cccs4)c3)CC2)c1 ZINC001444560847 1066475566 /nfs/dbraw/zinc/47/55/66/1066475566.db2.gz JRXYESZLLNVAQC-UHFFFAOYSA-N -1 0 455.605 4.574 20 0 JJADRM O=C(NCC1(c2ccc(Br)cc2)CCCC1)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC001444687719 1066493580 /nfs/dbraw/zinc/49/35/80/1066493580.db2.gz UMRPQDXAZITYBO-UHFFFAOYSA-N -1 0 458.331 4.721 20 0 JJADRM CO[C@H](CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1)c1cccc(Cl)c1 ZINC001444726884 1066497298 /nfs/dbraw/zinc/49/72/98/1066497298.db2.gz ACFCDSOMHXRQHT-JOCHJYFZSA-N -1 0 458.967 4.567 20 0 JJADRM Cc1ccccc1O[C@@H](C)CNC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1 ZINC001444806206 1066506629 /nfs/dbraw/zinc/50/66/29/1066506629.db2.gz CTQNIVNNOUKTPB-KRWDZBQOSA-N -1 0 458.967 4.647 20 0 JJADRM CCO[C@@H]1C[C@H](NC(=O)c2nn(-c3ccc(Cl)cc3C(F)(F)F)cc2[O-])C1(CC)CC ZINC001444959050 1066523015 /nfs/dbraw/zinc/52/30/15/1066523015.db2.gz PNXOTYMHVKXROO-DLBZAZTESA-N -1 0 459.896 4.964 20 0 JJADRM CCC[C@@H]1[C@H](C)CCCN1C(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1[O-] ZINC001445051764 1066534453 /nfs/dbraw/zinc/53/44/53/1066534453.db2.gz FVAJFRVUIOYFSA-FOIQADDNSA-N -1 0 450.988 4.887 20 0 JJADRM CCO[C@H]1C[C@H](NC(=O)c2nn(-c3ccc(Cl)cc3C(F)(F)F)cc2[O-])C12CCCC2 ZINC001445142720 1066540698 /nfs/dbraw/zinc/54/06/98/1066540698.db2.gz YCCSAQCFQBKXET-IRXDYDNUSA-N -1 0 457.880 4.718 20 0 JJADRM CC1(C)CN(C(=O)c2cc(F)c([O-])c(Cl)c2)[C@H]1c1nccn1COCC[Si](C)(C)C ZINC001456357722 1066569229 /nfs/dbraw/zinc/56/92/29/1066569229.db2.gz IOGBHEZTMAMCSP-SFHVURJKSA-N -1 0 454.018 4.917 20 0 JJADRM COc1ccc(-n2cc([O-])c(C(=O)NCc3ccc(-c4ccc(Cl)cc4)cc3F)n2)cc1 ZINC001445587355 1066592321 /nfs/dbraw/zinc/59/23/21/1066592321.db2.gz BZUZVFXQTWSQTE-UHFFFAOYSA-N -1 0 451.885 4.976 20 0 JJADRM Cc1nc(-c2ccccc2Br)sc1[C@H](C)NC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001445682346 1066602434 /nfs/dbraw/zinc/60/24/34/1066602434.db2.gz VAXATSMSAIPSOP-VIFPVBQESA-N -1 0 459.325 4.614 20 0 JJADRM CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)c2cc(Br)c(F)cc2[O-])cc1 ZINC001445707767 1066608619 /nfs/dbraw/zinc/60/86/19/1066608619.db2.gz XCANCKBBVXIUIP-LBPRGKRZSA-N -1 0 452.324 4.659 20 0 JJADRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)N[C@H]2CCCCC2(C)C)c1 ZINC001445713020 1066609097 /nfs/dbraw/zinc/60/90/97/1066609097.db2.gz PFVRLRDBSGFBGQ-FQEVSTJZSA-N -1 0 450.988 4.848 20 0 JJADRM CC1(C)C[C@@H](NC(=O)c2ccccc2[N-]S(=O)(=O)c2cc(F)ccc2F)c2ccccc21 ZINC001445717995 1066610479 /nfs/dbraw/zinc/61/04/79/1066610479.db2.gz BXJDDPQSJMVVQD-OAQYLSRUSA-N -1 0 456.514 4.918 20 0 JJADRM O=C(Nc1cc(F)c(O)cc1Cl)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC001456608539 1066641536 /nfs/dbraw/zinc/64/15/36/1066641536.db2.gz RNOUNTITSUDJTF-UHFFFAOYSA-N -1 0 455.294 4.891 20 0 JJADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(CCO)cc2)c1C ZINC001446012308 1066644815 /nfs/dbraw/zinc/64/48/15/1066644815.db2.gz KEZAXJZAUDARHX-UHFFFAOYSA-N -1 0 452.576 4.508 20 0 JJADRM O=C(c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1)N1CCC(c2cccnc2)CC1 ZINC001446247842 1066679666 /nfs/dbraw/zinc/67/96/66/1066679666.db2.gz XEVDJZLVQUZKBL-UHFFFAOYSA-N -1 0 455.967 4.556 20 0 JJADRM Cc1ccc2c(CC(=O)N[C@@H](C)c3ccccc3[N-]S(=O)(=O)c3cccs3)c[nH]c2c1 ZINC001446271343 1066682475 /nfs/dbraw/zinc/68/24/75/1066682475.db2.gz GZWYRGMUHHUSHZ-INIZCTEOSA-N -1 0 453.589 4.759 20 0 JJADRM C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)CCCCCn1c(=O)c2ccccc2[n-]c1=S ZINC001446284316 1066686088 /nfs/dbraw/zinc/68/60/88/1066686088.db2.gz VZCIRJVEDXGQGM-IAGOWNOFSA-N -1 0 453.583 4.919 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)/C(C)=C\C2CCC(C)CC2)c1 ZINC001446705229 1066732379 /nfs/dbraw/zinc/73/23/79/1066732379.db2.gz BFOQDTIKZUWFEZ-VKAVYKQESA-N -1 0 458.580 4.913 20 0 JJADRM O=C(NC[C@H]1CCc2ccccc2C1)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC001446964149 1066759124 /nfs/dbraw/zinc/75/91/24/1066759124.db2.gz OFPWDPBSCXVXSB-KRWDZBQOSA-N -1 0 454.979 4.676 20 0 JJADRM COCC[C@H](NC(=O)c1nn(-c2ccc(Cl)cc2C(F)(F)F)cc1[O-])c1ccc(C)o1 ZINC001447004171 1066764527 /nfs/dbraw/zinc/76/45/27/1066764527.db2.gz AUQMJSPQDOWFNB-AWEZNQCLSA-N -1 0 457.836 4.659 20 0 JJADRM CCC1(CC)[C@H](NC(=O)c2ccsc2NC(=O)c2ccc(Cl)cc2[O-])[C@H](C)[C@H]1OC ZINC001447023820 1066767394 /nfs/dbraw/zinc/76/73/94/1066767394.db2.gz MDHKOHARARRVRW-JBBXEZCESA-N -1 0 450.988 4.929 20 0 JJADRM CSc1ccc(N2C[C@H](C(=O)Nc3cc(Cl)cc(Br)c3[O-])CC2=O)cc1 ZINC001447086062 1066772039 /nfs/dbraw/zinc/77/20/39/1066772039.db2.gz ANJVHHUWXLQNQR-SNVBAGLBSA-N -1 0 455.761 4.522 20 0 JJADRM CC(C)(C)OC(=O)NC1(C(=O)Nc2cc(Cl)cc(Br)c2[O-])CC2(CCC2)C1 ZINC001447097579 1066772544 /nfs/dbraw/zinc/77/25/44/1066772544.db2.gz YLJZRLCUZCFWHS-UHFFFAOYSA-N -1 0 459.768 4.974 20 0 JJADRM O=C(c1cccc(C(F)(F)F)c1[O-])N1CCC(OCc2ccc(Br)cc2)CC1 ZINC001457292483 1066805291 /nfs/dbraw/zinc/80/52/91/1066805291.db2.gz OIEOTEZMXRPGBP-UHFFFAOYSA-N -1 0 458.274 4.995 20 0 JJADRM CCc1ccc2c(c1)CCN(C(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1)C2 ZINC001457317115 1066809270 /nfs/dbraw/zinc/80/92/70/1066809270.db2.gz CJYHISUQXDSXLG-UHFFFAOYSA-N -1 0 454.979 4.902 20 0 JJADRM CCc1ccc2c(c1)[C@H](NC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(C)cc1)CCO2 ZINC001447451344 1066810856 /nfs/dbraw/zinc/81/08/56/1066810856.db2.gz JQKQZQVARYHZCF-LJQANCHMSA-N -1 0 456.589 4.673 20 0 JJADRM CCOc1ccc(C[C@@H](C)C(=O)Nc2ncc(C([O-])(C(F)(F)F)C(F)(F)F)s2)cc1 ZINC001457524289 1066851458 /nfs/dbraw/zinc/85/14/58/1066851458.db2.gz FXGNYYRIKYYUGC-SNVBAGLBSA-N -1 0 456.408 4.671 20 0 JJADRM Cc1ccccc1-c1ccccc1C(=O)Nc1nnc([N-]S(=O)(=O)c2ccccc2)s1 ZINC001457550501 1066859119 /nfs/dbraw/zinc/85/91/19/1066859119.db2.gz DQKJJJYVZKKJBX-UHFFFAOYSA-N -1 0 450.545 4.567 20 0 JJADRM CC(C)(C)OC(=O)N1CC[C@]2(C(=O)[N-]OCc3ccc(F)cc3Br)CCCC[C@H]12 ZINC001447800827 1066861390 /nfs/dbraw/zinc/86/13/90/1066861390.db2.gz GWWKHBLFCKGHID-LAUBAEHRSA-N -1 0 471.367 4.706 20 0 JJADRM CC[C@@]1(C)Oc2ccc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc(F)cc3)cc2O1 ZINC001447803282 1066862698 /nfs/dbraw/zinc/86/26/98/1066862698.db2.gz QCZAWBQAHMJPHM-QHCPKHFHSA-N -1 0 456.495 4.776 20 0 JJADRM COc1ccc(NC(=O)c2cc(Br)cc(Cl)c2[O-])cc1N1CCCCC1=O ZINC001457614218 1066879121 /nfs/dbraw/zinc/87/91/21/1066879121.db2.gz VUPNZIQLSQYTEX-UHFFFAOYSA-N -1 0 453.720 4.586 20 0 JJADRM O=C(Nc1nnc(CC2CCCCC2)s1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC001457629489 1066885506 /nfs/dbraw/zinc/88/55/06/1066885506.db2.gz MWDQHIZTYIBWKD-UHFFFAOYSA-N -1 0 456.593 4.714 20 0 JJADRM CCOC1CC(CCNC(=O)c2ccccc2[N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)C1 ZINC001447984625 1066888126 /nfs/dbraw/zinc/88/81/26/1066888126.db2.gz QZEIGQMGVHODEA-UHFFFAOYSA-N -1 0 458.624 4.656 20 0 JJADRM CC(C)C[C@@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c2ncccn2)c1)c1ccc(Cl)cc1 ZINC001448007373 1066889895 /nfs/dbraw/zinc/88/98/95/1066889895.db2.gz LQEXKETUFQZVGI-HXUWFJFHSA-N -1 0 458.971 4.699 20 0 JJADRM CN(C)c1cccc(CN(C)C(=O)c2nn(-c3cc(Cl)c(Cl)cc3Cl)cc2[O-])c1 ZINC001457688171 1066897695 /nfs/dbraw/zinc/89/76/95/1066897695.db2.gz GTHWRYGDLHBXIO-UHFFFAOYSA-N -1 0 453.757 4.876 20 0 JJADRM Cn1cccc1[C@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC001457706592 1066900898 /nfs/dbraw/zinc/90/08/98/1066900898.db2.gz YDRIMLOVFJKXRO-JOCHJYFZSA-N -1 0 457.983 4.847 20 0 JJADRM CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Br)cc2)c1)C1CC1 ZINC001457707435 1066901369 /nfs/dbraw/zinc/90/13/69/1066901369.db2.gz MREXEQLNHBCMAX-UHFFFAOYSA-N -1 0 457.777 4.528 20 0 JJADRM Cc1ccccc1OCc1nnc(SCC(=O)[N-]OC2CCCCC2)n1-c1ccccc1 ZINC001448117652 1066901498 /nfs/dbraw/zinc/90/14/98/1066901498.db2.gz YMZWZKGLGSRKHU-UHFFFAOYSA-N -1 0 452.580 4.627 20 0 JJADRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC001448125038 1066902358 /nfs/dbraw/zinc/90/23/58/1066902358.db2.gz XGOOSNPFQZKKCL-UHFFFAOYSA-N -1 0 455.294 4.891 20 0 JJADRM CCc1ccccc1-n1cc([O-])c(C(=O)Nc2nc3ccc(Br)cc3n2CC)n1 ZINC001457732514 1066906288 /nfs/dbraw/zinc/90/62/88/1066906288.db2.gz RMYGGRRZCUVOFD-UHFFFAOYSA-N -1 0 454.328 4.525 20 0 JJADRM Cc1cc(C)cc([C@H](O)CNC(=O)c2nn(-c3c(Cl)cc(Cl)cc3Cl)cc2[O-])c1 ZINC001457770145 1066915147 /nfs/dbraw/zinc/91/51/47/1066915147.db2.gz NWBHICMAIXIJRC-MRXNPFEDSA-N -1 0 454.741 4.618 20 0 JJADRM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)[C@H](C)Oc1ccc2ccccc2c1 ZINC001457788665 1066920703 /nfs/dbraw/zinc/92/07/03/1066920703.db2.gz NCZVTDLDCLVOCR-NBGIEHNGSA-N -1 0 457.574 4.846 20 0 JJADRM O=C(NCc1cc(F)cnc1Cl)c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1[O-] ZINC001457832364 1066930247 /nfs/dbraw/zinc/93/02/47/1066930247.db2.gz HWDVAPOJHSJEOT-UHFFFAOYSA-N -1 0 450.084 4.656 20 0 JJADRM C[C@H](NC(=O)c1cc(Br)cc(Cl)c1[O-])c1ccc(N2CCCOC2=O)cc1 ZINC001457840984 1066931554 /nfs/dbraw/zinc/93/15/54/1066931554.db2.gz RVGHULBBYUNIMS-NSHDSACASA-N -1 0 453.720 4.646 20 0 JJADRM COc1cc(NC(=O)c2cc3ccccc3cc2[N-]S(=O)(=O)c2cccs2)ccc1O ZINC001448508556 1066935213 /nfs/dbraw/zinc/93/52/13/1066935213.db2.gz BPUNFPOEZWPHBC-UHFFFAOYSA-N -1 0 454.529 4.669 20 0 JJADRM COc1ccc(C(=O)N2CCCCc3sccc32)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC001448575402 1066939930 /nfs/dbraw/zinc/93/99/30/1066939930.db2.gz SVIQHAWPDMEZRF-UHFFFAOYSA-N -1 0 456.589 4.849 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NC[C@]2(C)CC[C@H](C)C2(C)C)ccc1C ZINC001457927610 1066942281 /nfs/dbraw/zinc/94/22/81/1066942281.db2.gz SWBSRPSQPPAPBQ-BVZFJXPGSA-N -1 0 458.624 4.997 20 0 JJADRM O=C(N[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)c1cc(Br)cc(Cl)c1[O-] ZINC001457984212 1066951923 /nfs/dbraw/zinc/95/19/23/1066951923.db2.gz YKOXVVYEPIAYGU-BYCMXARLSA-N -1 0 457.549 4.639 20 0 JJADRM C[C@@H]1C[C@@H](CCNC(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2ccco2)c3=O)CC(C)(C)C1 ZINC001448715645 1066952641 /nfs/dbraw/zinc/95/26/41/1066952641.db2.gz AIEFURFHDFMKCF-IAGOWNOFSA-N -1 0 453.608 4.909 20 0 JJADRM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2CCSC(C)(C)CC2)ccc1Cl ZINC001448725199 1066953920 /nfs/dbraw/zinc/95/39/20/1066953920.db2.gz GPJLCGDYKPUIIW-UHFFFAOYSA-N -1 0 453.029 4.807 20 0 JJADRM O=C(c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1[O-])N1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC001458030880 1066958419 /nfs/dbraw/zinc/95/84/19/1066958419.db2.gz DDBQVLRTNNPNBU-CHWSQXEVSA-N -1 0 458.773 4.817 20 0 JJADRM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)N[C@@H]1CCCc2ccc(F)cc21 ZINC001448965345 1066974008 /nfs/dbraw/zinc/97/40/08/1066974008.db2.gz GZTVQMUBFNJGEL-OAQYLSRUSA-N -1 0 456.514 4.881 20 0 JJADRM CCCS(=O)(=O)[N-]c1ccccc1C(=O)N(Cc1ccccc1C(F)(F)F)CC1CC1 ZINC001449327604 1066999927 /nfs/dbraw/zinc/99/99/27/1066999927.db2.gz BXPGJQFZDHXSDC-UHFFFAOYSA-N -1 0 454.514 4.910 20 0 JJADRM CCCCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2c(O)cccc2OC)c1 ZINC001449412906 1067008463 /nfs/dbraw/zinc/00/84/63/1067008463.db2.gz NJAIYVHKYKEGHK-UHFFFAOYSA-N -1 0 454.548 4.649 20 0 JJADRM CC(C)(CNC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccccc1Cl)c2=O)C1CCC1 ZINC001449712942 1067022450 /nfs/dbraw/zinc/02/24/50/1067022450.db2.gz NJEQBRSACICPFZ-UHFFFAOYSA-N -1 0 456.011 4.943 20 0 JJADRM O=C(N[C@@H]1CCc2c1ccc(F)c2Br)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC001449795134 1067028945 /nfs/dbraw/zinc/02/89/45/1067028945.db2.gz WXFGWKHSOGEFEH-OAHLLOKOSA-N -1 0 450.695 4.550 20 0 JJADRM O=C(N[C@H]1CCc2c1ccc(F)c2Br)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC001449795133 1067029021 /nfs/dbraw/zinc/02/90/21/1067029021.db2.gz WXFGWKHSOGEFEH-HNNXBMFYSA-N -1 0 450.695 4.550 20 0 JJADRM C[C@@H]1C[C@@H](NC(=O)c2cc(Cl)ccc2[N-]S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC001449908853 1067036566 /nfs/dbraw/zinc/03/65/66/1067036566.db2.gz GONBVCAONCVEBV-QVKFZJNVSA-N -1 0 456.951 4.783 20 0 JJADRM O=C(N[C@H](c1ccccc1)C(F)F)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC001450021569 1067041780 /nfs/dbraw/zinc/04/17/80/1067041780.db2.gz KDAAGQGXNYHGNB-QGZVFWFLSA-N -1 0 456.923 4.939 20 0 JJADRM O=C(Nc1cccc(S(=O)(=O)C2CCCCC2)c1)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC001450170166 1067057091 /nfs/dbraw/zinc/05/70/91/1067057091.db2.gz FAINRHASVOWPDH-UHFFFAOYSA-N -1 0 459.955 4.590 20 0 JJADRM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2cc3ccccc3s2)cc1 ZINC001450191606 1067058444 /nfs/dbraw/zinc/05/84/44/1067058444.db2.gz CPBSUFCIJKQJKW-UHFFFAOYSA-N -1 0 452.557 4.641 20 0 JJADRM Cc1nc(-c2ccccc2)sc1NC(=O)c1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC001546100755 1067061966 /nfs/dbraw/zinc/06/19/66/1067061966.db2.gz IQTARUFGULWIKS-UHFFFAOYSA-N -1 0 456.574 4.628 20 0 JJADRM O=C(Nc1ccc([C@@H]2CCOC2)cc1)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC001450355789 1067073057 /nfs/dbraw/zinc/07/30/57/1067073057.db2.gz IMQDOOWNRDOZAO-QGZVFWFLSA-N -1 0 456.951 4.897 20 0 JJADRM O=C(NC[C@H]1CCCCC(F)(F)C1)c1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC001450404231 1067076851 /nfs/dbraw/zinc/07/68/51/1067076851.db2.gz YKLSWIUBDGCCRO-AWEZNQCLSA-N -1 0 458.477 4.711 20 0 JJADRM CC[C@H](c1ccccc1OC)N(C)C(=O)CCCCCn1c(=O)c2ccccc2[n-]c1=S ZINC001450601193 1067093633 /nfs/dbraw/zinc/09/36/33/1067093633.db2.gz BKUANPMHNICCED-OAQYLSRUSA-N -1 0 453.608 4.864 20 0 JJADRM Cc1c(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)cnn1-c1ccc(Cl)cc1 ZINC001450631352 1067097613 /nfs/dbraw/zinc/09/76/13/1067097613.db2.gz WUNWGVSBDNRVAR-UHFFFAOYSA-N -1 0 457.715 4.690 20 0 JJADRM Cc1cc(C(C)(C)NC(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])ccc1Br ZINC001450651393 1067098952 /nfs/dbraw/zinc/09/89/52/1067098952.db2.gz ZNSZFWBSIIMSBZ-UHFFFAOYSA-N -1 0 450.283 4.592 20 0 JJADRM O=C(Nc1ccc(SC(F)(F)F)nc1)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC001451200080 1067153763 /nfs/dbraw/zinc/15/37/63/1067153763.db2.gz SIJSAAXIGILTBR-UHFFFAOYSA-N -1 0 459.496 4.808 20 0 JJADRM 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CCCc1ccc(C(=O)N2CC[C@@H](c3ccc(OC)c(F)c3)[C@@H]([N-]C(=O)C(F)(F)F)C2)s1 ZINC001452960666 1067267592 /nfs/dbraw/zinc/26/75/92/1067267592.db2.gz PKNIYVYQAUCXKS-RDJZCZTQSA-N -1 0 472.504 4.525 20 0 JJADRM COc1ccc([C@@H]2CCN(C(=O)/C=C/C3CCCCCC3)C[C@@H]2[N-]C(=O)C(F)(F)F)cc1F ZINC001452961649 1067268143 /nfs/dbraw/zinc/26/81/43/1067268143.db2.gz RKJLPSVLMMOTHL-QYLKWSRPSA-N -1 0 470.507 4.724 20 0 JJADRM CC(C)c1ccc2c(c1)CN(C(=O)Cc1ccc([N-]S(=O)(=O)c3cccs3)cc1)CC2 ZINC001452980440 1067270588 /nfs/dbraw/zinc/27/05/88/1067270588.db2.gz ZRYIUEVFLJHXHI-UHFFFAOYSA-N -1 0 454.617 4.800 20 0 JJADRM C[C@@H](CSc1ccccc1)C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001453133955 1067282468 /nfs/dbraw/zinc/28/24/68/1067282468.db2.gz UROSHUQFSCLLEG-YSSFQJQWSA-N -1 0 468.516 4.617 20 0 JJADRM CC(C)n1ncc(C([O-])(C(F)(F)F)C(F)(F)F)c1NC(=O)c1csc2c1CCCC2 ZINC001453841944 1067332479 /nfs/dbraw/zinc/33/24/79/1067332479.db2.gz QLWVIFYDHUWGKU-UHFFFAOYSA-N -1 0 455.424 4.969 20 0 JJADRM 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Cc1nc(-c2ccc(C)cc2)sc1C(=O)Nc1cc(F)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC001462007945 1067979044 /nfs/dbraw/zinc/97/90/44/1067979044.db2.gz INWHKDUQRTYMIS-UHFFFAOYSA-N -1 0 451.445 4.997 20 0 JJADRM [O-]c1c(Br)cc(CN2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)cc1Br ZINC001462361954 1068060154 /nfs/dbraw/zinc/06/01/54/1068060154.db2.gz BNOGKOQPRDENHJ-HZPDHXFCSA-N -1 0 461.581 4.879 20 0 JJADRM COc1ccc([C@@H]2CCN(Cc3cnc(CC(C)C)s3)C[C@@H]2[N-]C(=O)C(F)(F)F)cc1F ZINC001462412049 1068069107 /nfs/dbraw/zinc/06/91/07/1068069107.db2.gz GRALQHVEJAHBCY-WMZOPIPTSA-N -1 0 473.536 4.526 20 0 JJADRM COc1ccc([C@@H]2CCN(C/C=C\c3ccc(F)c(F)c3)C[C@@H]2[N-]C(=O)C(F)(F)F)cc1F ZINC001462413249 1068069161 /nfs/dbraw/zinc/06/91/61/1068069161.db2.gz KNGREZDSNPZXGG-RWPIJUSOSA-N -1 0 472.429 4.662 20 0 JJADRM O=S(=O)(NCc1ccc(OC2CCCCC2)nc1)c1cccc(Cl)c1Br ZINC001462998077 1068243753 /nfs/dbraw/zinc/24/37/53/1068243753.db2.gz JWJXGVKFJMBAKM-UHFFFAOYSA-N -1 0 459.793 4.688 20 0 JJADRM Cc1cccc([C@@H](C)C[N-]S(=O)(=O)c2scc(Br)c2Br)c1 ZINC001463149248 1068303687 /nfs/dbraw/zinc/30/36/87/1068303687.db2.gz QXHRUDBCZHLWKL-JTQLQIEISA-N -1 0 453.221 4.664 20 0 JJADRM Cc1nc(-c2ccccc2Br)sc1[C@H](C)NS(=O)(=O)c1ccccc1[O-] ZINC001463294695 1068348199 /nfs/dbraw/zinc/34/81/99/1068348199.db2.gz PIUQTQGJMQJIKZ-LBPRGKRZSA-N -1 0 453.383 4.626 20 0 JJADRM O=C(Nc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1)c1ncc(F)cc1F ZINC001463561482 1068443411 /nfs/dbraw/zinc/44/34/11/1068443411.db2.gz PYMNULFPGIMDRW-UHFFFAOYSA-N -1 0 458.273 4.720 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2ccc(C(C)C)cc2O)ccc1C ZINC001463603634 1068462415 /nfs/dbraw/zinc/46/24/15/1068462415.db2.gz KMIQJKZGZWBCPK-UHFFFAOYSA-N -1 0 454.548 4.886 20 0 JJADRM O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1cccc(F)c1[O-] ZINC001463625483 1068472011 /nfs/dbraw/zinc/47/20/11/1068472011.db2.gz LBWKVMBGRURPKA-UHFFFAOYSA-N -1 0 454.401 4.603 20 0 JJADRM COc1ccc(NC(=O)C2CCC(F)(F)CC2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC001463697798 1068497916 /nfs/dbraw/zinc/49/79/16/1068497916.db2.gz CHTAVZVLDGNEDN-UHFFFAOYSA-N -1 0 458.914 4.913 20 0 JJADRM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H](C)c3cccc(C)c3)ccc2OC)cc1 ZINC001463700793 1068499234 /nfs/dbraw/zinc/49/92/34/1068499234.db2.gz VGWCGAVEXAHMQU-QGZVFWFLSA-N -1 0 454.548 4.555 20 0 JJADRM C[S@@](=O)(=NS(=O)(=O)[N-]CC1(c2cccc(Cl)c2)CCCCC1)c1ccccc1F ZINC001463733290 1068507293 /nfs/dbraw/zinc/50/72/93/1068507293.db2.gz GUGANPNWZZQTPK-NDEPHWFRSA-N -1 0 459.008 4.672 20 0 JJADRM C[S@](=O)(=NS(=O)(=O)[N-]CC1(c2cccc(Cl)c2)CCCCC1)c1ccccc1F ZINC001463733288 1068507533 /nfs/dbraw/zinc/50/75/33/1068507533.db2.gz GUGANPNWZZQTPK-MUUNZHRXSA-N -1 0 459.008 4.672 20 0 JJADRM O=C(NCCCOC1CCCCC1)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1 ZINC001463770043 1068518549 /nfs/dbraw/zinc/51/85/49/1068518549.db2.gz ZLUFRAUAVXPEFE-UHFFFAOYSA-N -1 0 450.988 4.610 20 0 JJADRM O=C(c1cccc([N-]S(=O)(=O)C(F)(F)F)c1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC001463815343 1068534547 /nfs/dbraw/zinc/53/45/47/1068534547.db2.gz YOIRSESIGSQRLJ-OAHLLOKOSA-N -1 0 455.483 4.535 20 0 JJADRM CCN(CC)c1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC001463958764 1068575441 /nfs/dbraw/zinc/57/54/41/1068575441.db2.gz ICVALHKDMDOTJG-UHFFFAOYSA-N -1 0 459.518 4.864 20 0 JJADRM O=S(=O)([N-]CC1(c2cccc(OC(F)(F)F)c2)CCC1)c1c(Cl)ccc(F)c1F ZINC001463976894 1068580163 /nfs/dbraw/zinc/58/01/63/1068580163.db2.gz HSDPIFGRHXQHQS-UHFFFAOYSA-N -1 0 455.832 4.917 20 0 JJADRM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)[C@@H](C)c3ccc(C)cc3)ccc2F)cc1 ZINC001464070807 1068604952 /nfs/dbraw/zinc/60/49/52/1068604952.db2.gz BXFYLDLQUHNWCY-KRWDZBQOSA-N -1 0 456.539 4.777 20 0 JJADRM CC(C)[C@H]1C[C@H](C(=O)Nc2cc(Cl)ccc2[N-]S(=O)(=O)c2ccccc2F)CCO1 ZINC001464086752 1068609741 /nfs/dbraw/zinc/60/97/41/1068609741.db2.gz DPMKJDMDXAGKBX-AUUYWEPGSA-N -1 0 454.951 4.670 20 0 JJADRM CC(C)[C@@H]1C[C@@H](C(=O)Nc2cc(Cl)ccc2[N-]S(=O)(=O)c2ccccc2F)CCO1 ZINC001464086759 1068610298 /nfs/dbraw/zinc/61/02/98/1068610298.db2.gz DPMKJDMDXAGKBX-LIRRHRJNSA-N -1 0 454.951 4.670 20 0 JJADRM COc1ccc([C@H](C)NC(=O)c2nn(-c3ccc(C(C)C)cc3)cc2[O-])cc1Br ZINC001464126536 1068625011 /nfs/dbraw/zinc/62/50/11/1068625011.db2.gz CTWOAIZMHPGSAF-AWEZNQCLSA-N -1 0 458.356 4.963 20 0 JJADRM O=C(N[C@@H](c1ccccc1)C1CCCCC1)c1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC001464178942 1068644983 /nfs/dbraw/zinc/64/49/83/1068644983.db2.gz MJCMBNSXPQULLT-NRFANRHFSA-N -1 0 455.605 4.995 20 0 JJADRM CC(C)Oc1ccc(NC(=O)c2ccc3c(c2)[n-]c(=S)n(CCc2ccccc2)c3=O)cc1 ZINC001464245628 1068673258 /nfs/dbraw/zinc/67/32/58/1068673258.db2.gz DFQWZRZRZYORAQ-UHFFFAOYSA-N -1 0 459.571 4.967 20 0 JJADRM CC(C)c1ccc2c(c1)CCCN2C(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1O ZINC001464285485 1068691588 /nfs/dbraw/zinc/69/15/88/1068691588.db2.gz VLTVPLQGXYUFKB-UHFFFAOYSA-N -1 0 456.589 4.971 20 0 JJADRM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)NCc1ccccc1OC(C)C ZINC001464358284 1068718471 /nfs/dbraw/zinc/71/84/71/1068718471.db2.gz BOVPKIRXNDVABJ-UHFFFAOYSA-N -1 0 456.539 4.652 20 0 JJADRM CC(=O)Nc1ccc(Cl)c(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC001464389043 1068728327 /nfs/dbraw/zinc/72/83/27/1068728327.db2.gz XBHXXGDYKDMSMH-UHFFFAOYSA-N -1 0 457.939 4.660 20 0 JJADRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)NCC3(c4ccc(Br)cc4)CCC3)n2)c1 ZINC001464398359 1068732075 /nfs/dbraw/zinc/73/20/75/1068732075.db2.gz GTUVNGKGVZLPOT-UHFFFAOYSA-N -1 0 458.331 4.640 20 0 JJADRM C[C@H]1CN(C(=O)c2cc(Br)c([O-])c(Br)c2)C[C@H](c2ccccc2)O1 ZINC001464423274 1068740524 /nfs/dbraw/zinc/74/05/24/1068740524.db2.gz OBYFFMBVOLIABU-MEDUHNTESA-N -1 0 455.146 4.519 20 0 JJADRM CCCN(C(=O)c1cnc(I)c([O-])c1)[C@@H](C)c1cc2ccccc2o1 ZINC001464450103 1068749974 /nfs/dbraw/zinc/74/99/74/1068749974.db2.gz KAWOWOHFHHBPRF-LBPRGKRZSA-N -1 0 450.276 4.751 20 0 JJADRM CC(C)N(Cc1ccc(-c2ccccc2F)s1)C(=O)c1nc[n-]c(=O)c1Br ZINC001464450550 1068750776 /nfs/dbraw/zinc/75/07/76/1068750776.db2.gz MBLDLHAWLVMMBK-UHFFFAOYSA-N -1 0 450.333 4.863 20 0 JJADRM COc1ccc(Cl)c(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC001464480067 1068761353 /nfs/dbraw/zinc/76/13/53/1068761353.db2.gz ZZEHYZCJIARSNC-UHFFFAOYSA-N -1 0 452.866 4.680 20 0 JJADRM C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)CCn3c(=O)c4ccccc4[n-]c3=S)c2)C1 ZINC001464571684 1068786210 /nfs/dbraw/zinc/78/62/10/1068786210.db2.gz BQECBZNVHPQSCH-XLIONFOSSA-N -1 0 451.592 4.809 20 0 JJADRM COc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])c1 ZINC001464716635 1068836611 /nfs/dbraw/zinc/83/66/11/1068836611.db2.gz COIRUQNWGQMWGI-UHFFFAOYSA-N -1 0 456.454 4.978 20 0 JJADRM C[C@H](NC(=O)Cc1cncc2ccccc21)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC001545853408 1064262771 /nfs/dbraw/zinc/26/27/71/1064262771.db2.gz LSYIOHMFUUVJTF-INIZCTEOSA-N -1 0 451.573 4.517 20 0 JJADRM C[C@H](NC(=O)c1cc2sccc2c(O)c1)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC001545853630 1064263219 /nfs/dbraw/zinc/26/32/19/1064263219.db2.gz QCKRSOFPNOZUDU-ZDUSSCGKSA-N -1 0 458.586 4.960 20 0 JJADRM C[C@H](CSC(F)(F)F)C(=O)N[C@@H](C)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC001545853546 1064263265 /nfs/dbraw/zinc/26/32/65/1064263265.db2.gz OSSOAYZBGAVCRA-NEPJUHHUSA-N -1 0 452.545 4.615 20 0 JJADRM O=C([N-]c1nnc(-c2cccc(OC(F)(F)F)c2)s1)c1scnc1Br ZINC001436201451 1065247904 /nfs/dbraw/zinc/24/79/04/1065247904.db2.gz RZSIPYJVYDNTGY-UHFFFAOYSA-N -1 0 451.249 4.575 20 0 JJADRM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)c2ccc(NC(=O)CC(C)C)c(F)c2)c1 ZINC001436240000 1065271986 /nfs/dbraw/zinc/27/19/86/1065271986.db2.gz DVXMTHIOPREJDQ-UHFFFAOYSA-N -1 0 453.436 4.550 20 0 JJADRM O=C([N-][C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2cccc(Oc3ccccc3)c2)C1)C(F)(F)F ZINC001437125946 1065511216 /nfs/dbraw/zinc/51/12/16/1065511216.db2.gz AYILIAXSIGUHAJ-PBHICJAKSA-N -1 0 460.374 4.693 20 0 JJADRM Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N1C[C@@H]([N-]C(=O)C(F)(F)F)CC[C@H]1C(F)(F)F ZINC001437700042 1065593394 /nfs/dbraw/zinc/59/33/94/1065593394.db2.gz CYAVXIGEAYJOQF-HOSILWTGSA-N -1 0 450.423 4.576 20 0 JJADRM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N1C[C@@H]([N-]C(=O)C(F)(F)F)CC[C@H]1C(F)(F)F ZINC001437700043 1065593473 /nfs/dbraw/zinc/59/34/73/1065593473.db2.gz CYAVXIGEAYJOQF-NYTXWWLZSA-N -1 0 450.423 4.576 20 0 JJADRM Cc1nc(-c2ccccc2C)sc1C(=O)Nc1cc(F)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC001438208216 1065696167 /nfs/dbraw/zinc/69/61/67/1065696167.db2.gz IPQSGQNNOVLCNI-UHFFFAOYSA-N -1 0 451.445 4.997 20 0 JJADRM O=C([N-]Cc1cc(F)cc(NC(=O)c2ccccc2OCc2cccs2)c1)C(F)(F)F ZINC001438208739 1065696185 /nfs/dbraw/zinc/69/61/85/1065696185.db2.gz LXADVYPAEOLGKE-UHFFFAOYSA-N -1 0 452.429 4.897 20 0 JJADRM O=C([N-]Cc1cc(F)cc(NC(=O)C2(CCCOCc3ccccc3)CC2)c1)C(F)(F)F ZINC001438210247 1065697116 /nfs/dbraw/zinc/69/71/16/1065697116.db2.gz VODOABLSXMKKLM-UHFFFAOYSA-N -1 0 452.448 4.720 20 0 JJADRM CCOC(=O)c1nc(NC(=O)[C@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)[n-]c1Cl ZINC001439500864 1065835669 /nfs/dbraw/zinc/83/56/69/1065835669.db2.gz RGEUIRXKAFMQEF-MRXNPFEDSA-N -1 0 452.269 4.791 20 0 JJADRM COc1ccc(NC(=O)c2csc(Cl)n2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC001440598913 1065953677 /nfs/dbraw/zinc/95/36/77/1065953677.db2.gz WHVWOWBKJFLGKG-UHFFFAOYSA-N -1 0 458.348 4.512 20 0 JJADRM Cc1cccc2sc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3cc(F)ccc3F)nc21 ZINC001440658889 1065959865 /nfs/dbraw/zinc/95/98/65/1065959865.db2.gz LCRICDAXROEZMB-UHFFFAOYSA-N -1 0 459.499 4.936 20 0 JJADRM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CC3(CSC)CC3)ccc2Cl)cc1 ZINC001440756949 1065976850 /nfs/dbraw/zinc/97/68/50/1065976850.db2.gz QLODCIUUAKFBDB-UHFFFAOYSA-N -1 0 455.001 4.621 20 0 JJADRM Cc1cc(C(=O)N(C)Cc2ccc(Cl)cc2Cl)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC001441027449 1066001690 /nfs/dbraw/zinc/00/16/90/1066001690.db2.gz JTHMSVNWDNTWHH-UHFFFAOYSA-N -1 0 455.285 4.836 20 0 JJADRM O=C(NCc1c(F)cccc1Cl)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC001441115909 1066008225 /nfs/dbraw/zinc/00/82/25/1066008225.db2.gz IHDNJSLQLCORQR-UHFFFAOYSA-N -1 0 453.322 4.863 20 0 JJADRM CCN(Cc1ccc2ccccc2c1)C(=O)c1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC001441118808 1066008716 /nfs/dbraw/zinc/00/87/16/1066008716.db2.gz HXBGICMYLGXCAT-UHFFFAOYSA-N -1 0 451.573 4.759 20 0 JJADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)n1 ZINC001441366344 1066035378 /nfs/dbraw/zinc/03/53/78/1066035378.db2.gz CQMJYXUFDMISPI-UHFFFAOYSA-N -1 0 454.477 4.936 20 0 JJADRM O=C(Nc1ccc(F)c(S(=O)(=O)[N-]c2ccc(Br)cc2)c1)[C@@H]1CC12CCC2 ZINC001441410410 1066038854 /nfs/dbraw/zinc/03/88/54/1066038854.db2.gz FDFWYDVNSCENGB-HNNXBMFYSA-N -1 0 453.333 4.518 20 0 JJADRM O=C(Nc1cccc(OC(F)F)c1)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1 ZINC001441498166 1066046848 /nfs/dbraw/zinc/04/68/48/1066046848.db2.gz QQGCXZYKZHFDNN-UHFFFAOYSA-N -1 0 452.866 4.995 20 0 JJADRM O=C(Nc1ncc(Br)s1)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC001441988310 1066084266 /nfs/dbraw/zinc/08/42/66/1066084266.db2.gz SXPFFHHPYUCABS-UHFFFAOYSA-N -1 0 458.746 4.831 20 0 JJADRM CC(C)N(Cc1ccc(-c2ccc(F)cc2)s1)C(=O)c1nc[n-]c(=O)c1Br ZINC001442124789 1066096828 /nfs/dbraw/zinc/09/68/28/1066096828.db2.gz RVFWPZATHFPWIH-UHFFFAOYSA-N -1 0 450.333 4.863 20 0 JJADRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)Nc3ccc(C(=O)N4CCCC[C@H]4C)cc3C)n2)c1 ZINC001442613103 1066145269 /nfs/dbraw/zinc/14/52/69/1066145269.db2.gz VJNVKNYKJXGXCR-QGZVFWFLSA-N -1 0 450.514 4.601 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)NC[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c1 ZINC001442620003 1066145811 /nfs/dbraw/zinc/14/58/11/1066145811.db2.gz QALFYSXQJDGNKN-VCOUNFBDSA-N -1 0 458.624 4.934 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)NC[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c1 ZINC001442619992 1066145918 /nfs/dbraw/zinc/14/59/18/1066145918.db2.gz QALFYSXQJDGNKN-KAGYGMCKSA-N -1 0 458.624 4.934 20 0 JJADRM O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1ccccc1[N-]S(=O)(=O)C(F)(F)F ZINC001442620059 1066145969 /nfs/dbraw/zinc/14/59/69/1066145969.db2.gz WGTVWOLODBJNEM-ZDUSSCGKSA-N -1 0 450.891 4.568 20 0 JJADRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCC[C@H]2C)c1 ZINC001442746443 1066156451 /nfs/dbraw/zinc/15/64/51/1066156451.db2.gz JSZRHNYWQWWMDI-NVXWUHKLSA-N -1 0 450.988 4.706 20 0 JJADRM O=C(NCC1(c2ccc(Br)cc2)CCOCC1)c1cccc(C(F)(F)F)c1[O-] ZINC001442785449 1066221774 /nfs/dbraw/zinc/22/17/74/1066221774.db2.gz UEHOKFGGBAVNRY-UHFFFAOYSA-N -1 0 458.274 4.652 20 0 JJADRM CC(C)c1c(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC001454282760 1066264447 /nfs/dbraw/zinc/26/44/47/1066264447.db2.gz WZNAQEQQMHNYOV-UHFFFAOYSA-N -1 0 456.428 4.553 20 0 JJADRM Cc1cc(Cl)ccc1C1=CCN(C(=O)c2cccc(I)c2[O-])CC1 ZINC001454550167 1066299695 /nfs/dbraw/zinc/29/96/95/1066299695.db2.gz VZUNMVVASVRBLL-UHFFFAOYSA-N -1 0 453.707 4.888 20 0 JJADRM COc1ccccc1-c1cccc(NC(=O)c2cccc([N-]S(=O)(=O)C(F)(F)F)c2)c1 ZINC001443617193 1066338236 /nfs/dbraw/zinc/33/82/36/1066338236.db2.gz NWIXWJDVWJBSTP-UHFFFAOYSA-N -1 0 450.438 4.876 20 0 JJADRM O=C(Nc1ccc2ccn(Cc3ccc(CO)cc3)c2c1)c1ccc(Br)cc1[O-] ZINC001454939756 1066344141 /nfs/dbraw/zinc/34/41/41/1066344141.db2.gz GCUCMFPBDJXXJJ-UHFFFAOYSA-N -1 0 451.320 4.902 20 0 JJADRM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCc2cc(F)ccc2F)ccc1Cl ZINC001443724669 1066357232 /nfs/dbraw/zinc/35/72/32/1066357232.db2.gz HEMRSNMRCNGBOO-UHFFFAOYSA-N -1 0 450.894 4.657 20 0 JJADRM COc1ccccc1[C@@H](NC(=O)c1cc(I)ccc1O)c1ccccc1 ZINC001443762162 1066363975 /nfs/dbraw/zinc/36/39/75/1066363975.db2.gz KIWUECSXOGICLB-FQEVSTJZSA-N -1 0 459.283 4.525 20 0 JJADRM O=C(N[C@@H]1CCc2cc(Br)ccc2NC1=O)c1cc(Cl)c2ccccc2c1[O-] ZINC001455198584 1066369580 /nfs/dbraw/zinc/36/95/80/1066369580.db2.gz XJINROIZRNOFAN-GOSISDBHSA-N -1 0 459.727 4.645 20 0 JJADRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2ncc(Cl)s2)c1 ZINC001443967587 1066388969 /nfs/dbraw/zinc/38/89/69/1066388969.db2.gz XSKQVWJAODDKBE-UHFFFAOYSA-N -1 0 458.348 4.512 20 0 JJADRM O=C(NCc1ccc(NC(=O)c2ccc(Cl)cc2[O-])cc1)c1ccc(Br)cc1 ZINC001444164220 1066423467 /nfs/dbraw/zinc/42/34/67/1066423467.db2.gz IKASAHFCMDRTSD-UHFFFAOYSA-N -1 0 459.727 4.990 20 0 JJADRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)N2C[C@@H](C)CCC[C@@H]2C)c1 ZINC001444212922 1066429954 /nfs/dbraw/zinc/42/99/54/1066429954.db2.gz ACWUGWYRHLNEBF-HOTGVXAUSA-N -1 0 450.988 4.800 20 0 JJADRM CCCN(C(=O)c1cccc(I)c1[O-])[C@@H]1C[C@H](OCC)C12CCCC2 ZINC001444318841 1066448039 /nfs/dbraw/zinc/44/80/39/1066448039.db2.gz DYCCVLMWRTZEBI-SJORKVTESA-N -1 0 457.352 4.587 20 0 JJADRM CCn1c(=O)c2ccc(C(=O)Nc3cc(Br)c4ccccc4c3)cc2[n-]c1=S ZINC001455907124 1066448682 /nfs/dbraw/zinc/44/86/82/1066448682.db2.gz WULGNUACHBJUKC-UHFFFAOYSA-N -1 0 454.349 4.873 20 0 JJADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCc3c(Cl)cccc3C2)ccc1F ZINC001444402959 1066458851 /nfs/dbraw/zinc/45/88/51/1066458851.db2.gz FSXAGNFKEQWSMC-UHFFFAOYSA-N -1 0 458.942 4.787 20 0 JJADRM CC(=O)c1cc(F)c([O-])c(NC(=O)c2ccc([C@@H]3CCCCN3C(=O)OC(C)(C)C)n2C)c1 ZINC001456039790 1066487894 /nfs/dbraw/zinc/48/78/94/1066487894.db2.gz FKOQLJPSVDBMTI-IBGZPJMESA-N -1 0 459.518 4.787 20 0 JJADRM CN(Cc1nccs1)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC001445393514 1066566522 /nfs/dbraw/zinc/56/65/22/1066566522.db2.gz QDGHCXGSFUJNPF-UHFFFAOYSA-N -1 0 456.376 4.523 20 0 JJADRM CC1(C)CN(C(=O)c2ccc3oc(=S)[n-]c3c2)[C@H]1c1nccn1COCC[Si](C)(C)C ZINC001456363731 1066571780 /nfs/dbraw/zinc/57/17/80/1066571780.db2.gz XAMNXCLVCZDAHZ-SFHVURJKSA-N -1 0 458.660 4.849 20 0 JJADRM CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)c2cc(Br)c(F)cc2[O-])cc1 ZINC001445707763 1066608445 /nfs/dbraw/zinc/60/84/45/1066608445.db2.gz XCANCKBBVXIUIP-GFCCVEGCSA-N -1 0 452.324 4.659 20 0 JJADRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCCC2(C)C)c1 ZINC001445713021 1066609295 /nfs/dbraw/zinc/60/92/95/1066609295.db2.gz PFVRLRDBSGFBGQ-HXUWFJFHSA-N -1 0 450.988 4.848 20 0 JJADRM O=C(c1cc(Br)cc(F)c1[O-])N1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC001456529494 1066614055 /nfs/dbraw/zinc/61/40/55/1066614055.db2.gz KFTIBNLXIFHUAF-CQSZACIVSA-N -1 0 457.137 4.904 20 0 JJADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCC[C@H]2Cc2ccc(Br)cc2)n1 ZINC001456529462 1066614124 /nfs/dbraw/zinc/61/41/24/1066614124.db2.gz JZSDLBKDXKWSDQ-SFHVURJKSA-N -1 0 458.331 4.635 20 0 JJADRM CC1(C)C[C@H](c2ccccc2)CN1C(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1O ZINC001456554600 1066624442 /nfs/dbraw/zinc/62/44/42/1066624442.db2.gz QDANRDPULPGSIU-KRWDZBQOSA-N -1 0 456.589 4.663 20 0 JJADRM CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C(=O)c3cc(F)c(F)c([O-])c3F)CC2)CC1 ZINC001456617937 1066646372 /nfs/dbraw/zinc/64/63/72/1066646372.db2.gz HVEZRJYGDCAHBD-AWEZNQCLSA-N -1 0 456.505 4.699 20 0 JJADRM O=C(c1nn(-c2cccc(Cl)c2)cc1[O-])N(Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC001446085871 1066657428 /nfs/dbraw/zinc/65/74/28/1066657428.db2.gz JVBWANJHCSCRIY-HXUWFJFHSA-N -1 0 453.951 4.669 20 0 JJADRM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)c1cccc(I)c1[O-] ZINC001446141039 1066664685 /nfs/dbraw/zinc/66/46/85/1066664685.db2.gz IXGZRISVCOLKTO-AWEZNQCLSA-N -1 0 450.320 4.936 20 0 JJADRM C[C@@H](NC(=O)C1CCc2ccccc2CC1)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC001446276871 1066683863 /nfs/dbraw/zinc/68/38/63/1066683863.db2.gz RXPARBOSWWXCQI-QGZVFWFLSA-N -1 0 454.617 4.921 20 0 JJADRM CC(C)[C@@H]1C[C@H](CC(=O)N[C@@H](C)c2ccccc2[N-]S(=O)(=O)c2cccs2)CCO1 ZINC001446278451 1066684399 /nfs/dbraw/zinc/68/43/99/1066684399.db2.gz STADGAJBWJIGII-QKLQHJQFSA-N -1 0 450.626 4.567 20 0 JJADRM CC(C)[C@H]1C[C@@H](CC(=O)N[C@@H](C)c2ccccc2[N-]S(=O)(=O)c2cccs2)CCO1 ZINC001446278440 1066684466 /nfs/dbraw/zinc/68/44/66/1066684466.db2.gz STADGAJBWJIGII-ABSDTBQOSA-N -1 0 450.626 4.567 20 0 JJADRM O=C(NCCc1cc(Cl)ccc1Br)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC001446382825 1066699915 /nfs/dbraw/zinc/69/99/15/1066699915.db2.gz ADWXUEYYQOZWAE-UHFFFAOYSA-N -1 0 455.139 4.620 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)CC(C2CCC2)C2CCC2)c1 ZINC001446718388 1066734093 /nfs/dbraw/zinc/73/40/93/1066734093.db2.gz YTHGHPRWSLQIFK-UHFFFAOYSA-N -1 0 458.580 4.747 20 0 JJADRM CCn1c2cc(F)ccc2nc1NC(=O)c1cc(Br)cc(Br)c1[O-] ZINC001446878080 1066751913 /nfs/dbraw/zinc/75/19/13/1066751913.db2.gz HTOAHOKFOTWEPW-UHFFFAOYSA-N -1 0 457.097 4.678 20 0 JJADRM O=C(CCn1c(=O)c2ccccc2[n-]c1=S)Nc1ccccc1Nc1ccc(F)cc1F ZINC001446985287 1066761849 /nfs/dbraw/zinc/76/18/49/1066761849.db2.gz ULCXMGLFUBZAFF-UHFFFAOYSA-N -1 0 452.486 4.736 20 0 JJADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N[C@@H]1CCCCC[C@@H]1c1ccccc1C(F)(F)F ZINC001447006160 1066764486 /nfs/dbraw/zinc/76/44/86/1066764486.db2.gz DIGOUEGZUFZABL-OIISXLGYSA-N -1 0 452.439 4.941 20 0 JJADRM CCC1(CC)[C@H](NC(=O)c2ccsc2NC(=O)c2ccc(Cl)cc2[O-])[C@@H](C)[C@@H]1OC ZINC001447023831 1066767282 /nfs/dbraw/zinc/76/72/82/1066767282.db2.gz MDHKOHARARRVRW-PJSAGSTRSA-N -1 0 450.988 4.929 20 0 JJADRM CC(=O)c1ccc([O-])c(NC(=O)C[C@@H](C)CCc2ccc(I)cc2)c1 ZINC001447029175 1066768081 /nfs/dbraw/zinc/76/80/81/1066768081.db2.gz ZLPNSRZFJRTSAE-ZDUSSCGKSA-N -1 0 451.304 4.797 20 0 JJADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCO[C@H](c4ccc(OC(F)F)cc4)C3)n2)cc1 ZINC001447248089 1066785016 /nfs/dbraw/zinc/78/50/16/1066785016.db2.gz HASWVZXFRMRAEO-NRFANRHFSA-N -1 0 457.477 4.516 20 0 JJADRM O=C(N[C@@H](c1cccc(F)c1)c1ccccn1)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC001447258300 1066785672 /nfs/dbraw/zinc/78/56/72/1066785672.db2.gz AOKXKTGAYMSLGT-FQEVSTJZSA-N -1 0 456.399 4.650 20 0 JJADRM O=C(Nc1cc(F)ccc1O)c1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC001447288933 1066787940 /nfs/dbraw/zinc/78/79/40/1066787940.db2.gz RCRFVFAQNSVFBR-UHFFFAOYSA-N -1 0 455.294 4.891 20 0 JJADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)NC[C@@H]2C[C@H]2Cc2ccccc2)ccc1F ZINC001457202733 1066788102 /nfs/dbraw/zinc/78/81/02/1066788102.db2.gz XIGRMMJZGIHFDE-UXHICEINSA-N -1 0 452.551 4.544 20 0 JJADRM O=C(Nc1sccc1C(=O)Oc1ccc2c(c1)CCCC(=O)N2)c1ccc(Cl)cc1[O-] ZINC001447338950 1066796347 /nfs/dbraw/zinc/79/63/47/1066796347.db2.gz MRGYHVXPDFUXKQ-UHFFFAOYSA-N -1 0 456.907 4.853 20 0 JJADRM Cc1cc(C)c2c(c1)CCN(C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1C)C2 ZINC001457372451 1066818841 /nfs/dbraw/zinc/81/88/41/1066818841.db2.gz AITVNRRMXJPKPT-UHFFFAOYSA-N -1 0 452.551 4.750 20 0 JJADRM Cc1[nH]nc(NC(=O)c2cccc([N-]S(=O)(=O)c3cccs3)c2)c1-c1cccc(C)c1 ZINC001457448694 1066833015 /nfs/dbraw/zinc/83/30/15/1066833015.db2.gz UHJQCQOGVIPWNY-UHFFFAOYSA-N -1 0 452.561 4.808 20 0 JJADRM CC[C@H](CN(C)C(=O)c1nn(-c2ccccc2F)cc1[O-])Oc1ccc(Cl)c(Cl)c1 ZINC001447704943 1066845030 /nfs/dbraw/zinc/84/50/30/1066845030.db2.gz NZBGXXFAHROOHX-CYBMUJFWSA-N -1 0 452.313 4.953 20 0 JJADRM Cc1ccc(OCCCC(=O)Nc2ncc(C([O-])(C(F)(F)F)C(F)(F)F)s2)c(C)c1 ZINC001457527728 1066852221 /nfs/dbraw/zinc/85/22/21/1066852221.db2.gz VZJKHUYDDWCNDB-UHFFFAOYSA-N -1 0 456.408 4.870 20 0 JJADRM CC(C)C(C)(C)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC001447861620 1066870957 /nfs/dbraw/zinc/87/09/57/1066870957.db2.gz RVMYHWLLWIIMOO-UHFFFAOYSA-N -1 0 459.431 4.723 20 0 JJADRM O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)c1cc(Cl)cc(Br)c1[O-] ZINC001457617032 1066880325 /nfs/dbraw/zinc/88/03/25/1066880325.db2.gz QBQYAFPAAOOZKX-UHFFFAOYSA-N -1 0 457.605 4.735 20 0 JJADRM COc1ccc(CCNC(=O)c2nn(-c3cc(Cl)c(Cl)cc3Cl)cc2[O-])cc1F ZINC001457619715 1066882208 /nfs/dbraw/zinc/88/22/08/1066882208.db2.gz QRSMIAMSOALLMX-UHFFFAOYSA-N -1 0 458.704 4.658 20 0 JJADRM CC[C@@H]1CCC[C@@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)C1 ZINC001457650748 1066890461 /nfs/dbraw/zinc/89/04/61/1066890461.db2.gz NQQLJENIOWJDJJ-CRAIPNDOSA-N -1 0 450.988 4.848 20 0 JJADRM O=C(Nc1nc(-c2ccccc2)c(Br)s1)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC001457691753 1066898112 /nfs/dbraw/zinc/89/81/12/1066898112.db2.gz YPCMPRZFSOROOS-UHFFFAOYSA-N -1 0 459.350 4.762 20 0 JJADRM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CC[C@](C)(CC)C3)ccc2Cl)cc1 ZINC001457704680 1066900362 /nfs/dbraw/zinc/90/03/62/1066900362.db2.gz ANNSQFLTLXJEAX-QFIPXVFZSA-N -1 0 450.988 4.802 20 0 JJADRM O=C(Nc1cc2c(cc1F)NC(=O)CC2)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC001448116447 1066901589 /nfs/dbraw/zinc/90/15/89/1066901589.db2.gz LVSBIJUMJDFBIG-UHFFFAOYSA-N -1 0 459.886 4.636 20 0 JJADRM O=C(Nc1cc(Br)cc(Cl)c1[O-])c1ccccc1I ZINC001457734629 1066906612 /nfs/dbraw/zinc/90/66/12/1066906612.db2.gz MUOUEPLHNWLZHX-UHFFFAOYSA-N -1 0 452.473 4.665 20 0 JJADRM Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)Nc1cc(-c2n[nH]c(=O)[n-]2)ccc1C ZINC001448215588 1066909741 /nfs/dbraw/zinc/90/97/41/1066909741.db2.gz DJIFWDMYIVQKCV-UHFFFAOYSA-N -1 0 451.870 4.545 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](C(C)C)C2)ccc1Cl ZINC001457752788 1066911524 /nfs/dbraw/zinc/91/15/24/1066911524.db2.gz QIMXRFLTDBJALC-QGZVFWFLSA-N -1 0 450.988 4.658 20 0 JJADRM Cn1nc(-c2ccco2)cc1NC(=O)c1nn(-c2c(Cl)cc(Cl)cc2Cl)cc1[O-] ZINC001457774451 1066916535 /nfs/dbraw/zinc/91/65/35/1066916535.db2.gz JYZOOLQSGMIUSK-UHFFFAOYSA-N -1 0 452.685 4.784 20 0 JJADRM CC(C)[C@@H](NC(=O)c1ccc(-n2[n-]c(Cc3ccccc3)cc2=O)cc1)[C@@H](O)c1ccccc1 ZINC001457780012 1066918422 /nfs/dbraw/zinc/91/84/22/1066918422.db2.gz NWAHJOKZJFQTKN-SXOMAYOGSA-N -1 0 455.558 4.510 20 0 JJADRM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1cc(C)cc(Br)c1 ZINC001457791115 1066921872 /nfs/dbraw/zinc/92/18/72/1066921872.db2.gz SWONEPWRZPOMAK-FQEVSTJZSA-N -1 0 456.384 4.610 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2[C@H](c3ccccc3)C2(C)C)ccc1C ZINC001457848308 1066931792 /nfs/dbraw/zinc/93/17/92/1066931792.db2.gz IDEMVXQQDXJAGN-OFVILXPXSA-N -1 0 478.614 4.974 20 0 JJADRM COc1ccccc1CO[N-]C(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC001448591238 1066940633 /nfs/dbraw/zinc/94/06/33/1066940633.db2.gz NIISTWMRDGFGIV-SFHVURJKSA-N -1 0 454.445 4.528 20 0 JJADRM Cc1ccc2c(c1)C=C(C(=O)Nc1cc(S(=O)(=O)[N-]c3ccccc3)c(F)cc1C)CO2 ZINC001448620049 1066943819 /nfs/dbraw/zinc/94/38/19/1066943819.db2.gz MDQLNBDUZFAVNN-UHFFFAOYSA-N -1 0 452.507 4.658 20 0 JJADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)Nc2ccc(OCC(F)F)c(C(F)(F)F)c2)n1 ZINC001448673267 1066948251 /nfs/dbraw/zinc/94/82/51/1066948251.db2.gz GSANUIPAFYWZMW-UHFFFAOYSA-N -1 0 459.346 4.940 20 0 JJADRM CC(C)(C)OC(=O)N1CCc2c(CNC(=O)c3c([O-])cc(Cl)cc3Cl)cccc2C1 ZINC001457970327 1066949608 /nfs/dbraw/zinc/94/96/08/1066949608.db2.gz JCSIBEXAQFDIHW-UHFFFAOYSA-N -1 0 451.350 4.922 20 0 JJADRM Cc1ccc(F)cc1-c1nnc(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)s1 ZINC001448795037 1066958169 /nfs/dbraw/zinc/95/81/69/1066958169.db2.gz KZYIXSSISRETPR-UHFFFAOYSA-N -1 0 459.300 4.509 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N2C[C@H](C(C)C)c3ccccc32)c1 ZINC001448840167 1066962134 /nfs/dbraw/zinc/96/21/34/1066962134.db2.gz HPZPNFCWQDLZSM-OAQYLSRUSA-N -1 0 450.560 4.896 20 0 JJADRM COc1ccc(N(CCC(C)C)C(=O)c2ccc([N-]S(=O)(=O)C(F)(F)F)c(C)c2)cc1 ZINC001449002610 1066976709 /nfs/dbraw/zinc/97/67/09/1066976709.db2.gz UONUAOWSGATYQU-UHFFFAOYSA-N -1 0 458.502 4.958 20 0 JJADRM CCC(CC)(NC(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1nnn[n-]1 ZINC001449019859 1066977470 /nfs/dbraw/zinc/97/74/70/1066977470.db2.gz VUFFFQGEHUDISZ-UHFFFAOYSA-N -1 0 450.974 4.620 20 0 JJADRM CSc1cccc(F)c1CNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC001449265326 1066994133 /nfs/dbraw/zinc/99/41/33/1066994133.db2.gz NYMZIXLSPNUNKT-UHFFFAOYSA-N -1 0 458.580 4.895 20 0 JJADRM COc1cccc(S([O-])=CC(=O)N[C@@H](c2c[nH]c3ccccc32)C(Cl)(Cl)Cl)c1 ZINC001449305944 1066997060 /nfs/dbraw/zinc/99/70/60/1066997060.db2.gz ATHALAVKBJGAPM-XDBZFTIUSA-N -1 0 459.782 4.512 20 0 JJADRM COc1cccc(S([O-])=CC(=O)N[C@@H](c2c[nH]c3ccccc32)C(Cl)(Cl)Cl)c1 ZINC001449305933 1066997085 /nfs/dbraw/zinc/99/70/85/1066997085.db2.gz ATHALAVKBJGAPM-JMQGSBJISA-N -1 0 459.782 4.512 20 0 JJADRM CN(OCc1ccccc1)C(=O)c1cc2ccccc2cc1[N-]S(=O)(=O)c1cccs1 ZINC001546013773 1067005632 /nfs/dbraw/zinc/00/56/32/1067005632.db2.gz ONYQONYIKUSOKH-UHFFFAOYSA-N -1 0 452.557 4.906 20 0 JJADRM CCOc1nc2cc(NC(=O)c3cc(Br)cc(Br)c3[O-])ccc2o1 ZINC001449935832 1067038349 /nfs/dbraw/zinc/03/83/49/1067038349.db2.gz BENGQJRZDIATKF-UHFFFAOYSA-N -1 0 456.090 4.709 20 0 JJADRM CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)c1ccc([N-]S(=O)(=O)C(F)(F)F)c(C)c1 ZINC001545769025 1067054903 /nfs/dbraw/zinc/05/49/03/1067054903.db2.gz NTABDPQJQZGOER-OAHLLOKOSA-N -1 0 458.502 4.672 20 0 JJADRM O=C(Nc1c(=O)[nH][n-]c1-c1ccccc1)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC001450167668 1067056918 /nfs/dbraw/zinc/05/69/18/1067056918.db2.gz AZLDPOCWFZMPMC-OAHLLOKOSA-N -1 0 459.333 4.580 20 0 JJADRM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)Cc3cccc(C)c3C)ccc2F)cc1 ZINC001450199967 1067059487 /nfs/dbraw/zinc/05/94/87/1067059487.db2.gz XMCNPJXDZVIUJK-UHFFFAOYSA-N -1 0 456.539 4.524 20 0 JJADRM O=C(Nc1ccc([C@H]2CCOC2)cc1)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC001450355772 1067073338 /nfs/dbraw/zinc/07/33/38/1067073338.db2.gz IMQDOOWNRDOZAO-KRWDZBQOSA-N -1 0 456.951 4.897 20 0 JJADRM O=C(Nc1ccc(Cl)cc1OCC(F)F)c1cccc(I)c1[O-] ZINC001450537337 1067087536 /nfs/dbraw/zinc/08/75/36/1067087536.db2.gz UTHKEXMYEGKPEG-UHFFFAOYSA-N -1 0 453.610 4.546 20 0 JJADRM CC(C)OCc1cc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)ccc1O ZINC001450745258 1067114883 /nfs/dbraw/zinc/11/48/83/1067114883.db2.gz UWCIGDSPPNNMQB-UHFFFAOYSA-N -1 0 458.511 4.509 20 0 JJADRM Cc1cc(C(=O)Nc2ccc(Oc3cccnc3)cc2)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC001450797774 1067122680 /nfs/dbraw/zinc/12/26/80/1067122680.db2.gz ZBSUOXOJYFYZOI-UHFFFAOYSA-N -1 0 451.426 4.696 20 0 JJADRM COc1ccc(C)cc1[C@@H](C)NC(=O)c1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl ZINC001451054429 1067144058 /nfs/dbraw/zinc/14/40/58/1067144058.db2.gz BGEBNHIDRLZZQX-MRXNPFEDSA-N -1 0 458.967 4.949 20 0 JJADRM O=C(N[C@@H]1C[C@H]1c1ccccc1F)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC001451118158 1067147488 /nfs/dbraw/zinc/14/74/88/1067147488.db2.gz YRDTZRLRXPSPDR-DOTOQJQBSA-N -1 0 450.944 4.627 20 0 JJADRM C[C@]1(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Br)s3)cc2)CC=CCC1 ZINC001451247358 1067155656 /nfs/dbraw/zinc/15/56/56/1067155656.db2.gz GCVKFWGIKDJESP-SFHVURJKSA-N -1 0 455.399 4.540 20 0 JJADRM Cc1[nH]nc(C(F)F)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC001545821296 1067160423 /nfs/dbraw/zinc/16/04/23/1067160423.db2.gz ZJHBKHBGEXIIFT-UHFFFAOYSA-N -1 0 454.886 4.671 20 0 JJADRM CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])c1 ZINC001545824076 1067168625 /nfs/dbraw/zinc/16/86/25/1067168625.db2.gz KSSMVIMWRWLEFB-UHFFFAOYSA-N -1 0 457.379 4.905 20 0 JJADRM Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC001545824053 1067168740 /nfs/dbraw/zinc/16/87/40/1067168740.db2.gz JTKJBJMYWSGNEE-CYBMUJFWSA-N -1 0 457.379 4.823 20 0 JJADRM CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](CC)c3ccccc3)ccc2OC)cc1 ZINC001451579342 1067179724 /nfs/dbraw/zinc/17/97/24/1067179724.db2.gz IGNBHMMSLQWYOD-JOCHJYFZSA-N -1 0 452.576 4.940 20 0 JJADRM CC(C)C1(c2ccccc2)CN(C(=O)c2cc(Br)cc(Br)c2[O-])C1 ZINC001451651526 1067183123 /nfs/dbraw/zinc/18/31/23/1067183123.db2.gz DPXQVUATKFMUFU-UHFFFAOYSA-N -1 0 453.174 4.967 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)CC[C@@H](C)c2ccccc2)c1 ZINC001546105483 1067228683 /nfs/dbraw/zinc/22/86/83/1067228683.db2.gz JLEDVOGCTIUKKN-QGZVFWFLSA-N -1 0 454.548 4.724 20 0 JJADRM C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC001459081621 1067247839 /nfs/dbraw/zinc/24/78/39/1067247839.db2.gz LNGBPVJAEUQMGL-LBPRGKRZSA-N -1 0 456.911 4.599 20 0 JJADRM CC(C)(C)OC(=O)[C@H]1C[C@H](NC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])c2ccccc21 ZINC001452746721 1067248174 /nfs/dbraw/zinc/24/81/74/1067248174.db2.gz SKBGQVBAFDPOMP-OALUTQOASA-N -1 0 453.926 4.531 20 0 JJADRM O=C([N-]c1nnc(-c2c(F)cccc2Cl)s1)c1nnn(-c2ccccc2)c1C(F)F ZINC001459119623 1067255123 /nfs/dbraw/zinc/25/51/23/1067255123.db2.gz RSQBYJXNSUUESD-UHFFFAOYSA-N -1 0 450.833 4.768 20 0 JJADRM C/C(=C\C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H]([N-]C(=O)C(F)(F)F)C1)c1ccccc1Cl ZINC001453120797 1067280829 /nfs/dbraw/zinc/28/08/29/1067280829.db2.gz DIIPXEPFPFXOQO-WECMUCOYSA-N -1 0 468.878 4.946 20 0 JJADRM O=C([N-][C@H]1CN(C(=O)C(F)(F)c2ccc(Cl)cc2)CC[C@H]1c1ccc(F)cc1)C(F)(F)F ZINC001453123866 1067280987 /nfs/dbraw/zinc/28/09/87/1067280987.db2.gz HHGATGZTXIUOAO-IRXDYDNUSA-N -1 0 478.820 4.634 20 0 JJADRM O=C([N-][C@H]1CN(C(=O)[C@H]2CC[C@H](C3CCC3)CC2)CC[C@H]1c1ccc(F)cc1)C(F)(F)F ZINC001453128583 1067282118 /nfs/dbraw/zinc/28/21/18/1067282118.db2.gz MARZRVHKOFBWJQ-GIUOSPMZSA-N -1 0 454.508 4.795 20 0 JJADRM CCC(CC)n1nccc1C(=O)Nc1c(C([O-])(C(F)(F)F)C(F)(F)F)cnn1C(C)C ZINC001453843322 1067332452 /nfs/dbraw/zinc/33/24/52/1067332452.db2.gz SAQSXNOLTWFERJ-UHFFFAOYSA-N -1 0 455.403 4.586 20 0 JJADRM CCSc1cccc(Br)c1NC(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC001460578806 1067660286 /nfs/dbraw/zinc/66/02/86/1067660286.db2.gz DGDMXHDTNLFOQB-UHFFFAOYSA-N -1 0 451.264 4.585 20 0 JJADRM O=C([N-]C[C@@H]1CCCN(C(=O)c2ccc(Oc3ccc(Cl)cc3)c(F)c2)C1)C(F)(F)F ZINC001460587073 1067663254 /nfs/dbraw/zinc/66/32/54/1067663254.db2.gz IIRDVXYWURBDIU-ZDUSSCGKSA-N -1 0 458.839 4.802 20 0 JJADRM CN(C)c1ccc(NC(=O)c2cc3ccccc3cc2[N-]S(C)(=O)=O)cc1C(F)(F)F ZINC001461000829 1067760582 /nfs/dbraw/zinc/76/05/82/1067760582.db2.gz SQNUGCDVGDYDCR-UHFFFAOYSA-N -1 0 451.470 4.548 20 0 JJADRM O=C([N-][C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)C1)C(F)(F)F ZINC001461183940 1067794645 /nfs/dbraw/zinc/79/46/45/1067794645.db2.gz NMHKDHJHNZTVTN-WUWHUORYSA-N -1 0 477.232 4.697 20 0 JJADRM CCCc1ccc(CCCC(=O)N2C[C@@H]([N-]C(=O)C(F)(F)F)CC[C@H]2C(F)(F)F)cc1 ZINC001461579629 1067892924 /nfs/dbraw/zinc/89/29/24/1067892924.db2.gz ZQRAYFWVTLEYQQ-IRXDYDNUSA-N -1 0 452.439 4.562 20 0 JJADRM C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)Nc1cc(F)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC001462482208 1068082277 /nfs/dbraw/zinc/08/22/77/1068082277.db2.gz BLBKUHSGRRETNW-ZDUSSCGKSA-N -1 0 459.871 4.507 20 0 JJADRM CCOC(=O)c1[n-]c(NC(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)nc1Cl ZINC001462919630 1068214335 /nfs/dbraw/zinc/21/43/35/1068214335.db2.gz MRXFXMDCSQFYBT-UHFFFAOYSA-N -1 0 459.742 4.851 20 0 JJADRM Cc1nc(S(=O)(=O)[N-]CC2(c3ccc(C(C)(C)C)cc3)CCC2)sc1Br ZINC001463004287 1068246273 /nfs/dbraw/zinc/24/62/73/1068246273.db2.gz HKYJTZVUASSDPB-UHFFFAOYSA-N -1 0 457.459 4.912 20 0 JJADRM CC[C@H](Cc1ccc(Cl)cc1)[N-]S(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F ZINC001463073054 1068277262 /nfs/dbraw/zinc/27/72/62/1068277262.db2.gz HRXUKNVGAGVPPA-CYBMUJFWSA-N -1 0 451.322 4.530 20 0 JJADRM Cc1cccc([C@H](C)C[N-]S(=O)(=O)c2scc(Br)c2Br)c1 ZINC001463149253 1068303901 /nfs/dbraw/zinc/30/39/01/1068303901.db2.gz QXHRUDBCZHLWKL-SNVBAGLBSA-N -1 0 453.221 4.664 20 0 JJADRM C[C@@H](Cc1c(Cl)cccc1Cl)[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC001463437083 1068397337 /nfs/dbraw/zinc/39/73/37/1068397337.db2.gz WOHCKTVZCDWFQC-QMMMGPOBSA-N -1 0 459.139 4.944 20 0 JJADRM O=S(=O)([N-][C@H](C1CCCCC1)C(F)(F)F)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC001463487621 1068417083 /nfs/dbraw/zinc/41/70/83/1068417083.db2.gz CMVWYOVBSFMUAH-FZKQIMNGSA-N -1 0 455.926 4.545 20 0 JJADRM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)Nc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC001463558548 1068441785 /nfs/dbraw/zinc/44/17/85/1068441785.db2.gz AIUZXTFHASBQIO-ZVZLLHMNSA-N -1 0 457.379 4.792 20 0 JJADRM CCC1(C(=O)Nc2ccc([N-]S(=O)(=O)c3c(Cl)cccc3Cl)cc2)CCOCC1 ZINC001463560281 1068443312 /nfs/dbraw/zinc/44/33/12/1068443312.db2.gz KXPCJRVMYWIXPH-UHFFFAOYSA-N -1 0 457.379 4.940 20 0 JJADRM O=C(Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Br)cc2)c1)C1CC=CC1 ZINC001463587550 1068457567 /nfs/dbraw/zinc/45/75/67/1068457567.db2.gz DXNUTLRXICCOOE-UHFFFAOYSA-N -1 0 455.761 4.808 20 0 JJADRM O=S(=O)([N-][C@@H](c1ccc(F)cc1)C(F)(F)F)c1cc(Br)sc1Cl ZINC001463654597 1068482905 /nfs/dbraw/zinc/48/29/05/1068482905.db2.gz BHBWERVUTHJRFI-JTQLQIEISA-N -1 0 452.676 4.885 20 0 JJADRM COC1(CNS(=O)(=O)c2sc(C)cc2Br)CCC(c2ccccc2)CC1 ZINC001463663363 1068487057 /nfs/dbraw/zinc/48/70/57/1068487057.db2.gz APDSHBJQYKKKCB-UHFFFAOYSA-N -1 0 458.443 4.840 20 0 JJADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N(C)CCOc2ccccc2Cl)cc1 ZINC001463742913 1068509679 /nfs/dbraw/zinc/50/96/79/1068509679.db2.gz QWJDSLUACPWYRV-UHFFFAOYSA-N -1 0 458.967 4.600 20 0 JJADRM O=C(NCc1ccc(C(F)(F)F)cc1)c1cc(Br)c([O-])c(Br)c1 ZINC001463830792 1068539852 /nfs/dbraw/zinc/53/98/52/1068539852.db2.gz FJGAULDUVVIUDI-UHFFFAOYSA-N -1 0 453.052 4.866 20 0 JJADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)NC[C@H](c3ccccc3Cl)N3CCCC3)n2)cc1 ZINC001463834694 1068541313 /nfs/dbraw/zinc/54/13/13/1068541313.db2.gz DLVIHIXXTDRDNY-JOCHJYFZSA-N -1 0 452.986 4.922 20 0 JJADRM COc1ccc(NC(=O)c2cccc(I)c2[O-])cc1Cc1ccccc1 ZINC001463841098 1068544202 /nfs/dbraw/zinc/54/42/02/1068544202.db2.gz BGZXVNURGNWAHJ-UHFFFAOYSA-N -1 0 459.283 4.849 20 0 JJADRM O=C(Nc1cnc(-c2ccccc2)nc1)c1nn(-c2ccc(Cl)cc2C(F)(F)F)cc1[O-] ZINC001463873031 1068552345 /nfs/dbraw/zinc/55/23/45/1068552345.db2.gz SZHCKWFEAUCULK-UHFFFAOYSA-N -1 0 459.815 4.959 20 0 JJADRM O=C(Nc1ccc(Nc2ccccc2)cc1)c1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC001463940853 1068571157 /nfs/dbraw/zinc/57/11/57/1068571157.db2.gz LVKRJVIMDNMRIT-UHFFFAOYSA-N -1 0 450.545 4.940 20 0 JJADRM CC(C)[C@H]1C[C@@H](C(=O)Nc2cc(Cl)ccc2[N-]S(=O)(=O)c2ccccc2F)CCO1 ZINC001464086755 1068609699 /nfs/dbraw/zinc/60/96/99/1068609699.db2.gz DPMKJDMDXAGKBX-IFXJQAMLSA-N -1 0 454.951 4.670 20 0 JJADRM CC(C)[C@@H]1C[C@H](C(=O)Nc2cc(Cl)ccc2[N-]S(=O)(=O)c2ccccc2F)CCO1 ZINC001464086757 1068609774 /nfs/dbraw/zinc/60/97/74/1068609774.db2.gz DPMKJDMDXAGKBX-KUHUBIRLSA-N -1 0 454.951 4.670 20 0 JJADRM CC1(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]c3ccc(Br)cc3)c2)CCCC1 ZINC001464183469 1068646190 /nfs/dbraw/zinc/64/61/90/1068646190.db2.gz YLAURPXRHJMXLH-UHFFFAOYSA-N -1 0 455.349 4.908 20 0 JJADRM Cc1nc2c(F)cccc2cc1C(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cccs2)c1 ZINC001464222642 1068664298 /nfs/dbraw/zinc/66/42/98/1068664298.db2.gz BXYYIIKVZSIBNO-UHFFFAOYSA-N -1 0 459.499 4.936 20 0 JJADRM CC(C)(C)c1ccc([C@H]2CCCN2C(=O)c2cnc(I)c([O-])c2)cc1 ZINC001464279652 1068687929 /nfs/dbraw/zinc/68/79/29/1068687929.db2.gz JNLNCCNKXYGAPD-MRXNPFEDSA-N -1 0 450.320 4.667 20 0 JJADRM C[C@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cccc(C(F)(F)F)c2[O-])c1 ZINC001464299481 1068696431 /nfs/dbraw/zinc/69/64/31/1068696431.db2.gz ONMBYAKGJPFAPF-ZDUSSCGKSA-N -1 0 453.436 4.615 20 0 JJADRM Cc1cc(CN(C)C(=O)c2nn(-c3cccc(F)c3)cc2[O-])cc(C)c1OCC(F)(F)F ZINC001464363739 1068720139 /nfs/dbraw/zinc/72/01/39/1068720139.db2.gz ZSCSGJHOFSZFGA-UHFFFAOYSA-N -1 0 451.420 4.547 20 0 JJADRM O=C(c1cc(Br)c([O-])c(Br)c1)N1CCC[C@@H]1Cc1ccc(F)cc1 ZINC001464382914 1068726262 /nfs/dbraw/zinc/72/62/62/1068726262.db2.gz PRFUCDGGZQFYDR-CQSZACIVSA-N -1 0 457.137 4.904 20 0 JJADRM Nc1c(Cl)c(F)cc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccccc2)c1Cl ZINC001464507091 1068768791 /nfs/dbraw/zinc/76/87/91/1068768791.db2.gz NMCIUUXEGSMOLY-UHFFFAOYSA-N -1 0 454.310 4.768 20 0 JJADRM Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC001464537443 1068775730 /nfs/dbraw/zinc/77/57/30/1068775730.db2.gz FQDIBEXYUGUZEW-OAHLLOKOSA-N -1 0 452.942 4.664 20 0 JJADRM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl)c1cccc2ccccc21 ZINC001464539527 1068776197 /nfs/dbraw/zinc/77/61/97/1068776197.db2.gz JTFIESIKTMHQGR-SFHVURJKSA-N -1 0 457.857 4.705 20 0 JJADRM COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC001464566522 1068783586 /nfs/dbraw/zinc/78/35/86/1068783586.db2.gz UMKCRSISROXTLR-IBGZPJMESA-N -1 0 459.521 4.999 20 0 JJADRM CCOc1cccc([C@H](C)NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)c(C)c2)c1 ZINC001464571749 1068786231 /nfs/dbraw/zinc/78/62/31/1068786231.db2.gz WKXORNXAUXUCON-KRWDZBQOSA-N -1 0 456.539 4.825 20 0 JJADRM O=C(Nc1ccn(Cc2ccccc2)n1)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC001464647451 1068810294 /nfs/dbraw/zinc/81/02/94/1068810294.db2.gz VIWWVQHHXRCUFU-UHFFFAOYSA-N -1 0 452.923 4.857 20 0 JJADRM Cc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)NCC2(c3ccc(F)cc3)CCC2)cc1 ZINC001464673968 1068820413 /nfs/dbraw/zinc/82/04/13/1068820413.db2.gz PFIMBCCMXSLGPS-UHFFFAOYSA-N -1 0 458.580 4.848 20 0 JJADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)NCC2(c3ccccc3C)CC2)ccc1F ZINC001464703869 1068831022 /nfs/dbraw/zinc/83/10/22/1068831022.db2.gz JNXMGJWTHRNAGP-UHFFFAOYSA-N -1 0 452.551 4.705 20 0 JJADRM Cc1ccc(C2(C(=O)Nc3cccc(-c4nc(=O)o[n-]4)c3)CCCCC2)c(Br)c1 ZINC001434994315 1064409276 /nfs/dbraw/zinc/40/92/76/1064409276.db2.gz JAIYTVCLZKFSDI-UHFFFAOYSA-N -1 0 456.340 4.941 20 0 JJADRM CCOC(=O)Nc1ccc(Cl)c(C(=O)Nc2cc(C)cc(C[N-]C(=O)C(F)(F)F)c2)c1 ZINC001436244345 1065273132 /nfs/dbraw/zinc/27/31/32/1065273132.db2.gz ZKXLPHDENACEHG-UHFFFAOYSA-N -1 0 457.836 4.648 20 0 JJADRM C[C@H](CSc1ccccc1)C(=O)N1CC[C@@H](c2cccc(F)c2)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001437472601 1065558209 /nfs/dbraw/zinc/55/82/09/1065558209.db2.gz DOVVVAGKIGRYQH-XPGWFJOJSA-N -1 0 468.516 4.617 20 0 JJADRM O=C([N-][C@H]1CN(C(=O)c2cc3ccccc3cc2F)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC001437475831 1065559369 /nfs/dbraw/zinc/55/93/69/1065559369.db2.gz NNXNGNLWIFJSPK-RXVVDRJESA-N -1 0 462.418 4.795 20 0 JJADRM CCc1ccc([C@H](C)C(=O)N2CC[C@@H](c3cccc(F)c3)[C@@H]([N-]C(=O)C(F)(F)F)C2)cc1 ZINC001437477383 1065560141 /nfs/dbraw/zinc/56/01/41/1065560141.db2.gz RZVPGJYZQVXNPM-JHVJFLLYSA-N -1 0 450.476 4.555 20 0 JJADRM O=C([N-][C@H]1CN(C(=O)c2cc(F)c(Cl)cc2Cl)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC001437480626 1065560650 /nfs/dbraw/zinc/56/06/50/1065560650.db2.gz WMILNELVHICQCE-SJCJKPOMSA-N -1 0 481.248 4.948 20 0 JJADRM O=C([N-][C@H]1CC[C@@H](C(F)(F)F)N(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1)C(F)(F)F ZINC001437704105 1065593791 /nfs/dbraw/zinc/59/37/91/1065593791.db2.gz LYJPYLFMGYXQDY-DYNIEEOBSA-N -1 0 477.232 4.697 20 0 JJADRM O=C([N-][C@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2cccc(OCc3cccs3)c2)C1)C(F)(F)F ZINC001437705396 1065593980 /nfs/dbraw/zinc/59/39/80/1065593980.db2.gz RDGUFPNQWFYJDK-BBRMVZONSA-N -1 0 480.430 4.541 20 0 JJADRM C[C@H](CC(=O)N1C[C@@H]([N-]C(=O)C(F)(F)F)CC[C@H]1C(F)(F)F)Cc1ccc(Cl)cc1 ZINC001437707320 1065594715 /nfs/dbraw/zinc/59/47/15/1065594715.db2.gz VSCQIJQHVRBUQB-CQDKDKBSSA-N -1 0 458.830 4.509 20 0 JJADRM O=C(Nc1cc(F)cc(C[N-]C(=O)C(F)(F)F)c1)c1cc(Br)ccc1C1CC1 ZINC001438207406 1065696130 /nfs/dbraw/zinc/69/61/30/1065696130.db2.gz BKXLFMRSROXSCR-UHFFFAOYSA-N -1 0 459.237 4.896 20 0 JJADRM O=C([N-]Cc1cc(F)cc(NC(=O)c2csc(-c3ccc(F)c(F)c3)n2)c1)C(F)(F)F ZINC001438209860 1065696985 /nfs/dbraw/zinc/69/69/85/1065696985.db2.gz RLUOQGLCBRDXJI-UHFFFAOYSA-N -1 0 459.371 4.658 20 0 JJADRM CC(C)(C)OC(=O)N1CCC([N-]C(=O)C(F)(F)c2ccc(Cl)cc2)(C(F)(F)F)CC1 ZINC001439114854 1065789177 /nfs/dbraw/zinc/78/91/77/1065789177.db2.gz AMRYNKRTUXTSBS-UHFFFAOYSA-N -1 0 456.839 4.880 20 0 JJADRM CCOC(=O)c1nc(NC(=O)[C@H](Sc2ccc(F)c(F)c2)c2ccccc2)[n-]c1Cl ZINC001439498963 1065835597 /nfs/dbraw/zinc/83/55/97/1065835597.db2.gz NMUBIDDAXNSLJE-MRXNPFEDSA-N -1 0 451.882 4.990 20 0 JJADRM CC(C)C[C@H](NC(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1)c1cccc(C(F)(F)F)c1 ZINC001360812199 1065925244 /nfs/dbraw/zinc/92/52/44/1065925244.db2.gz RXDQRQSNWOWIDL-HNNXBMFYSA-N -1 0 450.379 4.994 20 0 JJADRM CC1(C(=O)Nc2ccc([N-]S(=O)(=O)c3c(Cl)cccc3Cl)cc2)CCC(=O)CC1 ZINC001440365952 1065932860 /nfs/dbraw/zinc/93/28/60/1065932860.db2.gz BMXOKILMQIFGPA-UHFFFAOYSA-N -1 0 455.363 4.882 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2cccc3oc(C)nc32)ccc1C ZINC001440488982 1065944049 /nfs/dbraw/zinc/94/40/49/1065944049.db2.gz ZQZLAKMLPAPBEP-UHFFFAOYSA-N -1 0 451.504 4.506 20 0 JJADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1 ZINC001440564114 1065950101 /nfs/dbraw/zinc/95/01/01/1065950101.db2.gz DEKQDOUVXDDBHY-INIZCTEOSA-N -1 0 459.262 4.883 20 0 JJADRM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H](C)c3ccccc3C)ccc2OC)cc1 ZINC001440591100 1065952535 /nfs/dbraw/zinc/95/25/35/1065952535.db2.gz DVGFTXJEOQEIHB-QGZVFWFLSA-N -1 0 454.548 4.555 20 0 JJADRM COc1ccc(NC(=O)c2ccc(C(C)=O)cc2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC001440596549 1065953330 /nfs/dbraw/zinc/95/33/30/1065953330.db2.gz MKNSLEVRBIARSM-UHFFFAOYSA-N -1 0 458.923 4.604 20 0 JJADRM CCOc1cccc2cc([C@@H](C)NC(=O)c3ccccc3[N-]S(=O)(=O)C(F)(F)F)oc21 ZINC001440648955 1065958598 /nfs/dbraw/zinc/95/85/98/1065958598.db2.gz HDGKUDYMHXWAKO-GFCCVEGCSA-N -1 0 456.442 4.584 20 0 JJADRM CN(Cc1c(Cl)cccc1Cl)C(=O)c1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC001441142366 1066010544 /nfs/dbraw/zinc/01/05/44/1066010544.db2.gz ATFUHJGZOMLJQF-UHFFFAOYSA-N -1 0 456.376 4.523 20 0 JJADRM CCCC(O)(CCC)CC(=O)Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1F ZINC001441183916 1066012570 /nfs/dbraw/zinc/01/25/70/1066012570.db2.gz BVYQLGVAOKKIMV-UHFFFAOYSA-N -1 0 456.967 4.940 20 0 JJADRM O=C(Nc1ccc(F)c(S(=O)(=O)[N-]c2ccc(Br)cc2)c1)[C@H]1CC12CCC2 ZINC001441410420 1066038758 /nfs/dbraw/zinc/03/87/58/1066038758.db2.gz FDFWYDVNSCENGB-OAHLLOKOSA-N -1 0 453.333 4.518 20 0 JJADRM COc1cccc(C(F)F)c1C(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cccs2)c1 ZINC001441547175 1066049578 /nfs/dbraw/zinc/04/95/78/1066049578.db2.gz KXHORHUYXZPHHE-UHFFFAOYSA-N -1 0 456.467 4.887 20 0 JJADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)Nc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)n2)c1 ZINC001441555208 1066050731 /nfs/dbraw/zinc/05/07/31/1066050731.db2.gz AVPVMSHJVVSYMR-IAGOWNOFSA-N -1 0 452.530 4.706 20 0 JJADRM Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)c1nn(-c2ccc(F)cc2C)cc1[O-] ZINC001441748080 1066067618 /nfs/dbraw/zinc/06/76/18/1066067618.db2.gz LJLAXPZAQNMOPM-UHFFFAOYSA-N -1 0 450.514 4.649 20 0 JJADRM O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1)c1cccc(Cl)c1[O-] ZINC001441887515 1066078688 /nfs/dbraw/zinc/07/86/88/1066078688.db2.gz RAEAEBZZQAZXRL-UHFFFAOYSA-N -1 0 455.294 4.891 20 0 JJADRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccccc2OC(C)C)c1 ZINC001441958434 1066083031 /nfs/dbraw/zinc/08/30/31/1066083031.db2.gz SGQORGINBFXUIG-UHFFFAOYSA-N -1 0 452.576 4.821 20 0 JJADRM O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1[n-]cnc1C(=O)c1ccccc1 ZINC001442078290 1066090807 /nfs/dbraw/zinc/09/08/07/1066090807.db2.gz HFGIMZLDUNHIQB-UHFFFAOYSA-N -1 0 456.449 4.959 20 0 JJADRM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2ccccn2)ccc1Cl ZINC001442248610 1066108417 /nfs/dbraw/zinc/10/84/17/1066108417.db2.gz MUMJPZBJZORTSQ-NRFANRHFSA-N -1 0 455.967 4.822 20 0 JJADRM C[C@H](CC(C)(C)c1ccccc1)NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1O ZINC001442595398 1066142295 /nfs/dbraw/zinc/14/22/95/1066142295.db2.gz QJMQMNGNBJJARA-MRXNPFEDSA-N -1 0 458.605 4.741 20 0 JJADRM CC[C@@H](CNC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1[O-])c1ccccc1 ZINC001442768994 1066159033 /nfs/dbraw/zinc/15/90/33/1066159033.db2.gz PBVZOZXKTYTTNQ-INIZCTEOSA-N -1 0 458.967 4.770 20 0 JJADRM Cc1csc([C@H](C)NC(=O)c2ccccc2[N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)n1 ZINC001443118114 1066270216 /nfs/dbraw/zinc/27/02/16/1066270216.db2.gz XWGJYQKJKKHUAI-SFHVURJKSA-N -1 0 457.621 4.977 20 0 JJADRM O=C(Nc1cc(C(=O)Nc2nccc(Br)c2[O-])ccc1Cl)c1cccs1 ZINC001454380627 1066276660 /nfs/dbraw/zinc/27/66/60/1066276660.db2.gz MQHZYHBAWDHCFZ-UHFFFAOYSA-N -1 0 452.717 4.769 20 0 JJADRM CCC[C@H](Cc1ccccc1)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OC)cc1 ZINC001443190792 1066277889 /nfs/dbraw/zinc/27/78/89/1066277889.db2.gz SMJQAVYTKRVZHR-HXUWFJFHSA-N -1 0 452.576 4.637 20 0 JJADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)N[C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC001443215030 1066281722 /nfs/dbraw/zinc/28/17/22/1066281722.db2.gz NLVVEVVTAICZOF-QGZVFWFLSA-N -1 0 456.539 4.657 20 0 JJADRM O=C(Nc1cccc(-c2ncc[nH]2)c1)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC001443270293 1066288539 /nfs/dbraw/zinc/28/85/39/1066288539.db2.gz VSZISWZSXQBVQT-UHFFFAOYSA-N -1 0 452.923 4.783 20 0 JJADRM Cc1cc(C(=O)N[C@H]2CCCC[C@H]2Cc2ccccc2)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC001443309546 1066293612 /nfs/dbraw/zinc/29/36/12/1066293612.db2.gz ZVCGNDFSHRVKDG-PXNSSMCTSA-N -1 0 454.514 4.788 20 0 JJADRM Cc1cc(C(=O)N[C@H]2CCCC[C@@H]2Cc2ccccc2)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC001443309549 1066293945 /nfs/dbraw/zinc/29/39/45/1066293945.db2.gz ZVCGNDFSHRVKDG-XLIONFOSSA-N -1 0 454.514 4.788 20 0 JJADRM O=C(CCOc1ccc(Cl)cc1Cl)Nc1cc(F)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC001454527108 1066296639 /nfs/dbraw/zinc/29/66/39/1066296639.db2.gz ZTHQUDQHBWFXDD-UHFFFAOYSA-N -1 0 453.219 4.719 20 0 JJADRM O=Cc1ccc(-c2ccc(C(=O)NC[C@H]3CCCCN3Cc3cccc(Cl)c3)c([O-])c2)o1 ZINC001443356977 1066299863 /nfs/dbraw/zinc/29/98/63/1066299863.db2.gz LEVHFHGXBDTBCP-HXUWFJFHSA-N -1 0 452.938 4.903 20 0 JJADRM O=C([N-]c1nnc(C(F)(F)C(F)(F)F)s1)c1nccnc1-c1nc2ccccc2s1 ZINC001454601025 1066308600 /nfs/dbraw/zinc/30/86/00/1066308600.db2.gz YABUQKNCDZRYAZ-UHFFFAOYSA-N -1 0 458.397 4.511 20 0 JJADRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2cc(F)c(F)c(F)c2F)c1 ZINC001454968055 1066347517 /nfs/dbraw/zinc/34/75/17/1066347517.db2.gz AZOGTVOOOXOYGC-UHFFFAOYSA-N -1 0 452.429 4.913 20 0 JJADRM O=C(c1cccc(I)c1[O-])N(Cc1c(F)cccc1F)C1CCCC1 ZINC001443693923 1066351137 /nfs/dbraw/zinc/35/11/37/1066351137.db2.gz YDDHGGWSYMFTAR-UHFFFAOYSA-N -1 0 457.258 4.860 20 0 JJADRM CC[C@@](C)(NC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1)c1ccccc1 ZINC001444159129 1066421773 /nfs/dbraw/zinc/42/17/73/1066421773.db2.gz XISUVYMIACLHJF-XMMPIXPASA-N -1 0 456.539 4.690 20 0 JJADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCCOc2ccccc2C(C)C)cc1 ZINC001444205906 1066429089 /nfs/dbraw/zinc/42/90/89/1066429089.db2.gz DHUSERVNABIUFC-UHFFFAOYSA-N -1 0 452.576 4.728 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@@H](C)Cc2ccc(C)cc2)cc1 ZINC001444369512 1066456096 /nfs/dbraw/zinc/45/60/96/1066456096.db2.gz ZDGNROLYNMRFBI-IBGZPJMESA-N -1 0 452.576 4.508 20 0 JJADRM CCCN(C(=O)Cn1c(=O)c2ccccc2[n-]c1=S)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC001444495112 1066467482 /nfs/dbraw/zinc/46/74/82/1066467482.db2.gz JGLSJGMDVMAFRL-CYBMUJFWSA-N -1 0 450.391 4.992 20 0 JJADRM CC[C@@H](NC(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1)C(C)(C)c1ccccc1 ZINC001444562827 1066476473 /nfs/dbraw/zinc/47/64/73/1066476473.db2.gz SRDSQZMNBWMFBB-OAQYLSRUSA-N -1 0 456.633 4.964 20 0 JJADRM Cc1nc2cc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc(F)c(F)c3)ccc2s1 ZINC001456110895 1066511616 /nfs/dbraw/zinc/51/16/16/1066511616.db2.gz XMWTZZJEEZTTOY-UHFFFAOYSA-N -1 0 459.499 4.936 20 0 JJADRM CC[C@H](CNC(=O)c1cc(Br)c([O-])c(Br)c1)Oc1ccccc1C ZINC001444931349 1066518834 /nfs/dbraw/zinc/51/88/34/1066518834.db2.gz LVGHZUSRVAYMFT-CYBMUJFWSA-N -1 0 457.162 4.813 20 0 JJADRM O=C(NCc1c(Cl)cc(Br)cc1Cl)c1nn(-c2ccccc2F)cc1[O-] ZINC001456193035 1066533903 /nfs/dbraw/zinc/53/39/03/1066533903.db2.gz CLVCTJZWHPUZQT-UHFFFAOYSA-N -1 0 459.102 4.716 20 0 JJADRM C[C@H](Cc1ccsc1)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC001445235437 1066548576 /nfs/dbraw/zinc/54/85/76/1066548576.db2.gz ASQOVHDCGXXDBL-CYBMUJFWSA-N -1 0 455.026 4.967 20 0 JJADRM CCO[C@H]1C[C@@H](N(C)C(=O)c2cccc([N-]S(=O)(=O)c3cccs3)c2)C1(CC)CC ZINC001445287022 1066553982 /nfs/dbraw/zinc/55/39/82/1066553982.db2.gz MCWLNEMLZYLOGQ-MOPGFXCFSA-N -1 0 450.626 4.605 20 0 JJADRM CCO[C@@H]1C[C@H](N(C)C(=O)c2cccc([N-]S(=O)(=O)c3cccs3)c2)C1(CC)CC ZINC001445287028 1066553996 /nfs/dbraw/zinc/55/39/96/1066553996.db2.gz MCWLNEMLZYLOGQ-RBUKOAKNSA-N -1 0 450.626 4.605 20 0 JJADRM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1[O-] ZINC001445319093 1066556592 /nfs/dbraw/zinc/55/65/92/1066556592.db2.gz APCVPBYBFVFMRV-KUHUBIRLSA-N -1 0 450.988 4.791 20 0 JJADRM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1[O-] ZINC001445319087 1066556703 /nfs/dbraw/zinc/55/67/03/1066556703.db2.gz APCVPBYBFVFMRV-AUUYWEPGSA-N -1 0 450.988 4.791 20 0 JJADRM CCOCCC1(CNC(=O)c2sccc2S(=O)(=O)[N-]c2ccc(C)cc2)CCCC1 ZINC001445443107 1066572590 /nfs/dbraw/zinc/57/25/90/1066572590.db2.gz DIFQOWKFMHVPPC-UHFFFAOYSA-N -1 0 450.626 4.574 20 0 JJADRM COc1cccc(C=C2CCN(C(=O)c3cc4ccccc4cc3[N-]S(C)(=O)=O)CC2)c1 ZINC001445514820 1066579091 /nfs/dbraw/zinc/57/90/91/1066579091.db2.gz KUHPVEOSWFVEPW-UHFFFAOYSA-N -1 0 450.560 4.540 20 0 JJADRM COc1c(Cl)cccc1CNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC001456496287 1066599912 /nfs/dbraw/zinc/59/99/12/1066599912.db2.gz JPHJHESZKRTFRD-UHFFFAOYSA-N -1 0 458.967 4.696 20 0 JJADRM CC1(C)C[C@@H](c2ccccc2)CN1C(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1O ZINC001456554607 1066624350 /nfs/dbraw/zinc/62/43/50/1066624350.db2.gz QDANRDPULPGSIU-QGZVFWFLSA-N -1 0 456.589 4.663 20 0 JJADRM Cc1c[nH]c(-c2ccccc2NC(=O)c2cc(Br)cc(Br)c2[O-])n1 ZINC001445874935 1066629674 /nfs/dbraw/zinc/62/96/74/1066629674.db2.gz FNNGIUMVCPQHRO-UHFFFAOYSA-N -1 0 451.118 4.868 20 0 JJADRM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)c1cccc(I)c1[O-] ZINC001446141124 1066664615 /nfs/dbraw/zinc/66/46/15/1066664615.db2.gz IXGZRISVCOLKTO-CQSZACIVSA-N -1 0 450.320 4.936 20 0 JJADRM CCCOc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(OCC)cc3)cc2)cc1 ZINC001446188571 1066671102 /nfs/dbraw/zinc/67/11/02/1066671102.db2.gz BANIOUUQRDCEKU-UHFFFAOYSA-N -1 0 454.548 4.927 20 0 JJADRM C[C@H](NC(=O)Cc1cccc2cnccc21)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC001446271578 1066682532 /nfs/dbraw/zinc/68/25/32/1066682532.db2.gz IBGRHVOSWDYFSA-INIZCTEOSA-N -1 0 451.573 4.517 20 0 JJADRM C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC001446272058 1066682565 /nfs/dbraw/zinc/68/25/65/1066682565.db2.gz JHQSAAKOMRJZMI-DOPJRALCSA-N -1 0 462.543 4.808 20 0 JJADRM COc1ccccc1/C(C)=C/C(=O)N[C@@H](C)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC001446276445 1066683756 /nfs/dbraw/zinc/68/37/56/1066683756.db2.gz QSUKPUXOJVTCJT-IWLLYFRBSA-N -1 0 456.589 4.838 20 0 JJADRM C[C@@H](NC(=O)c1cccc2cccc(O)c21)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC001446276455 1066683914 /nfs/dbraw/zinc/68/39/14/1066683914.db2.gz QTESKBUFRYXSAT-OAHLLOKOSA-N -1 0 452.557 4.899 20 0 JJADRM C[C@H](CO[N-]C(=O)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1)NC(=O)OC(C)(C)C ZINC001446284120 1066685343 /nfs/dbraw/zinc/68/53/43/1066685343.db2.gz UXVAWEONDIQEAQ-AUUYWEPGSA-N -1 0 452.523 4.759 20 0 JJADRM O=C(N[C@H](C(=O)[N-]OCc1ccc(C(F)(F)F)cc1)c1ccccc1)OCc1ccccc1 ZINC001446584217 1066723502 /nfs/dbraw/zinc/72/35/02/1066723502.db2.gz PETXRBHWMYVWKA-NRFANRHFSA-N -1 0 458.436 4.921 20 0 JJADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N[C@H]1CCCCC[C@H]1c1ccccc1C(F)(F)F ZINC001447006170 1066765021 /nfs/dbraw/zinc/76/50/21/1066765021.db2.gz DIGOUEGZUFZABL-XIRDDKMYSA-N -1 0 452.439 4.941 20 0 JJADRM COCC[C@@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C)ccc1C)c1ccc(C)o1 ZINC001447009170 1066765071 /nfs/dbraw/zinc/76/50/71/1066765071.db2.gz GDDKYPKIZCXFHU-OAQYLSRUSA-N -1 0 456.564 4.513 20 0 JJADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c3nccs3)cc1)CCC2 ZINC001447230463 1066783803 /nfs/dbraw/zinc/78/38/03/1066783803.db2.gz GYDOARPEPXBHIZ-OAQYLSRUSA-N -1 0 455.605 4.875 20 0 JJADRM O=C(NCc1ccc(OCc2ccccc2F)cc1)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC001447371291 1066800746 /nfs/dbraw/zinc/80/07/46/1066800746.db2.gz XUBPAGMFUXXFCK-UHFFFAOYSA-N -1 0 451.885 4.879 20 0 JJADRM Cc1ccccc1Sc1ccc(C(=O)N[C@@H](c2nnn[n-]2)c2ccc(Cl)c(F)c2)cc1 ZINC001447460333 1066812162 /nfs/dbraw/zinc/81/21/62/1066812162.db2.gz YZSNZYQISMQDME-HXUWFJFHSA-N -1 0 453.930 4.971 20 0 JJADRM CC1CCC(NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)[N-]OCC(F)F)CC1 ZINC001447570777 1066823730 /nfs/dbraw/zinc/82/37/30/1066823730.db2.gz ZWCPAZKPRMOLAJ-UHFFFAOYSA-N -1 0 458.505 4.787 20 0 JJADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCO[C@@H](c4ccc(C(F)(F)F)cc4)C3)n2)c1 ZINC001447634421 1066833020 /nfs/dbraw/zinc/83/30/20/1066833020.db2.gz OOPQLQJQYUTHHX-OAQYLSRUSA-N -1 0 459.468 4.934 20 0 JJADRM COCCN(Cc1ccccc1)C(=O)c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1[O-] ZINC001457493417 1066842977 /nfs/dbraw/zinc/84/29/77/1066842977.db2.gz BXASUOHSAHRXJQ-UHFFFAOYSA-N -1 0 454.741 4.827 20 0 JJADRM O=C(Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1c[nH]nc1C1CC1 ZINC001457505928 1066845443 /nfs/dbraw/zinc/84/54/43/1066845443.db2.gz ZUYIXTQIEVSTSR-UHFFFAOYSA-N -1 0 451.335 4.647 20 0 JJADRM Cc1ccc(-n2[n-]c(C(=O)N[C@H](CC(F)(F)F)c3ccc(C(F)(F)F)cc3)cc2=O)cc1 ZINC001447750863 1066852337 /nfs/dbraw/zinc/85/23/37/1066852337.db2.gz JIWQYSSSQZMXNS-QGZVFWFLSA-N -1 0 457.374 4.916 20 0 JJADRM O=C([N-]OCc1ccc(F)cc1Br)C(F)(F)c1ccccc1Br ZINC001447802621 1066862228 /nfs/dbraw/zinc/86/22/28/1066862228.db2.gz MXTSJJUUBWYFHB-UHFFFAOYSA-N -1 0 453.052 4.691 20 0 JJADRM C[C@@H]1CCCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(Br)s3)cc2)C1 ZINC001447843948 1066868410 /nfs/dbraw/zinc/86/84/10/1066868410.db2.gz DTNRUIWKKLZQFJ-CYBMUJFWSA-N -1 0 457.415 4.574 20 0 JJADRM Cc1ccc(SC[C@H](C)NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)cc1 ZINC001447865399 1066871642 /nfs/dbraw/zinc/87/16/42/1066871642.db2.gz ILGMPNOFUNHQJP-KRWDZBQOSA-N -1 0 458.580 4.846 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2CCCC[C@@H]2C)ccc1Cl ZINC001457603658 1066876033 /nfs/dbraw/zinc/87/60/33/1066876033.db2.gz SIXYPBVHOIPYSP-DOTOQJQBSA-N -1 0 450.988 4.706 20 0 JJADRM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H]3CC[C@H](C)C[C@H]3C)ccc2Cl)cc1 ZINC001457631681 1066886772 /nfs/dbraw/zinc/88/67/72/1066886772.db2.gz IFHQNILOKCARTE-BXTJHSDWSA-N -1 0 450.988 4.704 20 0 JJADRM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H]3CC[C@@H](C)C[C@@H]3C)ccc2Cl)cc1 ZINC001457631685 1066886800 /nfs/dbraw/zinc/88/68/00/1066886800.db2.gz IFHQNILOKCARTE-QEEYODRMSA-N -1 0 450.988 4.704 20 0 JJADRM CC(C)[C@H](NC(=O)c1ccc(-n2[n-]c(Cc3ccccc3)cc2=O)cc1)[C@H](O)c1ccccc1 ZINC001457780003 1066918322 /nfs/dbraw/zinc/91/83/22/1066918322.db2.gz NWAHJOKZJFQTKN-RRPNLBNLSA-N -1 0 455.558 4.510 20 0 JJADRM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1csc(-c2ccc(C)o2)n1 ZINC001457785814 1066919328 /nfs/dbraw/zinc/91/93/28/1066919328.db2.gz CVSICJZSAXAXNT-SFHVURJKSA-N -1 0 450.564 4.564 20 0 JJADRM Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)c2cc(F)cc(Cl)c2[O-])C1 ZINC001457806727 1066925034 /nfs/dbraw/zinc/92/50/34/1066925034.db2.gz ONDOTWVKVSNXPM-HNNXBMFYSA-N -1 0 455.755 4.963 20 0 JJADRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)N3CCC(c4ccc(Br)cc4)CC3)n2)c1 ZINC001448426594 1066926261 /nfs/dbraw/zinc/92/62/61/1066926261.db2.gz FVXXMLCOMOOPCF-UHFFFAOYSA-N -1 0 458.331 4.808 20 0 JJADRM CN(C[C@@](C)(O)c1ccccc1)C(=O)c1nn(-c2c(Cl)cc(Cl)cc2Cl)cc1[O-] ZINC001457880523 1066934931 /nfs/dbraw/zinc/93/49/31/1066934931.db2.gz ZITPBYHRANOVEI-HXUWFJFHSA-N -1 0 454.741 4.518 20 0 JJADRM CCC[C@@]1(COC)CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC001448514829 1066935715 /nfs/dbraw/zinc/93/57/15/1066935715.db2.gz MVSNGNBECINNCU-FQEVSTJZSA-N -1 0 457.017 4.624 20 0 JJADRM COc1ccccc1CO[N-]C(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC001448593537 1066940759 /nfs/dbraw/zinc/94/07/59/1066940759.db2.gz PHKMMLOWSQVHLS-GOSISDBHSA-N -1 0 454.445 4.528 20 0 JJADRM O=C(c1ccc2c(=O)n(Cc3ccccc3Cl)c(=S)[n-]c2c1)N1CCC[C@H](CCF)C1 ZINC001457933987 1066943205 /nfs/dbraw/zinc/94/32/05/1066943205.db2.gz PZVDMDVQVMFIKF-OAHLLOKOSA-N -1 0 459.974 4.599 20 0 JJADRM CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3nc(C)ccc3CC)ccc2OC)cc1 ZINC001457934208 1066943396 /nfs/dbraw/zinc/94/33/96/1066943396.db2.gz BYSHACJYYUTLPO-UHFFFAOYSA-N -1 0 453.564 4.577 20 0 JJADRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2)cc1NC(=O)CCCOCc1ccccc1 ZINC001448625066 1066945161 /nfs/dbraw/zinc/94/51/61/1066945161.db2.gz ZAZDQKLHKNYIII-UHFFFAOYSA-N -1 0 456.539 4.870 20 0 JJADRM O=C(c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1)N1CC[C@@H](c2cccc(F)c2)C1 ZINC001448648596 1066946289 /nfs/dbraw/zinc/94/62/89/1066946289.db2.gz MABBKHRDGMVVOT-QGZVFWFLSA-N -1 0 458.942 4.910 20 0 JJADRM COC[C@@H](C)Nc1ccccc1NC(=O)c1cc(Br)c([O-])c(Br)c1 ZINC001448678126 1066949620 /nfs/dbraw/zinc/94/96/20/1066949620.db2.gz UXNJAPGBHLMIMO-SNVBAGLBSA-N -1 0 458.150 4.616 20 0 JJADRM O=C(NC[C@@H]1C[C@H]1C(F)(F)F)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC001457995814 1066954232 /nfs/dbraw/zinc/95/42/32/1066954232.db2.gz OKKFOJPQJHVTSV-SMDDNHRTSA-N -1 0 467.296 4.722 20 0 JJADRM COc1ccc(F)cc1CCNC(=O)c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1[O-] ZINC001458001045 1066955185 /nfs/dbraw/zinc/95/51/85/1066955185.db2.gz KNJOVOPCDLVDEX-UHFFFAOYSA-N -1 0 458.704 4.658 20 0 JJADRM Cc1cc(-n2cccn2)ccc1NC(=O)c1cc(Br)c([O-])c(Br)c1 ZINC001448873541 1066965853 /nfs/dbraw/zinc/96/58/53/1066965853.db2.gz ZOHRFTYULDWCOO-UHFFFAOYSA-N -1 0 451.118 4.664 20 0 JJADRM CCOc1cc(C)ccc1CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC001545720860 1066975356 /nfs/dbraw/zinc/97/53/56/1066975356.db2.gz HBYSHZZGAMNTTK-UHFFFAOYSA-N -1 0 456.539 4.572 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2c(C)cc(OC)c(C)c2C)cc1 ZINC001449166280 1066986722 /nfs/dbraw/zinc/98/67/22/1066986722.db2.gz BCQZCAIQRBXQOY-UHFFFAOYSA-N -1 0 454.548 4.682 20 0 JJADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCC(CC(F)(F)F)CC2)ccc1F ZINC001449309083 1066997985 /nfs/dbraw/zinc/99/79/85/1066997985.db2.gz NEPKNGAIGBIKAY-UHFFFAOYSA-N -1 0 458.477 4.740 20 0 JJADRM O=C(NCCCc1c[nH]c2ccc(F)cc12)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC001449419315 1067009012 /nfs/dbraw/zinc/00/90/12/1067009012.db2.gz GCHHWXZEERUQSD-UHFFFAOYSA-N -1 0 457.552 4.532 20 0 JJADRM CC[C@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC)c1)C1CCCC1 ZINC001449448021 1067009697 /nfs/dbraw/zinc/00/96/97/1067009697.db2.gz PGWCEBRBUUBPTN-IBGZPJMESA-N -1 0 450.988 4.848 20 0 JJADRM O=Cc1ccc(-c2ccc(C(=O)N3CC[C@H](Cc4ccc(Br)cc4)C3)c([O-])c2)o1 ZINC001450079482 1067048011 /nfs/dbraw/zinc/04/80/11/1067048011.db2.gz ZCJUJFLRBINFFZ-MRXNPFEDSA-N -1 0 454.320 4.932 20 0 JJADRM O=C(Nc1c(=O)[nH][n-]c1-c1ccccc1)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC001450167665 1067056887 /nfs/dbraw/zinc/05/68/87/1067056887.db2.gz AZLDPOCWFZMPMC-HNNXBMFYSA-N -1 0 459.333 4.580 20 0 JJADRM O=C(NC[C@@H]1CCCCC(F)(F)C1)c1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC001450404245 1067076896 /nfs/dbraw/zinc/07/68/96/1067076896.db2.gz YKLSWIUBDGCCRO-CQSZACIVSA-N -1 0 458.477 4.711 20 0 JJADRM O=C(N[C@@H](C1CC1)C1CCC1)c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC001450907682 1067135242 /nfs/dbraw/zinc/13/52/42/1067135242.db2.gz IMGYBCSWNWSRCX-HXUWFJFHSA-N -1 0 452.498 4.815 20 0 JJADRM COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC001451038806 1067141873 /nfs/dbraw/zinc/14/18/73/1067141873.db2.gz CZFQNSWWYQILAY-MRXNPFEDSA-N -1 0 458.967 4.949 20 0 JJADRM C[C@@]1(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Br)s3)cc2)CC=CCC1 ZINC001451247353 1067155591 /nfs/dbraw/zinc/15/55/91/1067155591.db2.gz GCVKFWGIKDJESP-GOSISDBHSA-N -1 0 455.399 4.540 20 0 JJADRM O=C(CCCCCn1c(=O)c2ccccc2[n-]c1=S)N1CCC[C@@H]1c1ccc(F)cc1F ZINC001451419271 1067169950 /nfs/dbraw/zinc/16/99/50/1067169950.db2.gz PMMCJJOEOJPALS-OAQYLSRUSA-N -1 0 457.546 4.888 20 0 JJADRM C[C@@H](c1ccccc1)n1cc(NC(=O)c2cccc([N-]S(=O)(=O)c3cccs3)c2)cn1 ZINC001452079416 1067205863 /nfs/dbraw/zinc/20/58/63/1067205863.db2.gz LYPNMQHMABDFCN-INIZCTEOSA-N -1 0 452.561 4.607 20 0 JJADRM O=C(N[C@H](c1c[nH]c2cccc(F)c21)C(F)(F)F)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC001452153306 1067210442 /nfs/dbraw/zinc/21/04/42/1067210442.db2.gz PQDROQOUMIBNPS-GOSISDBHSA-N -1 0 452.795 4.885 20 0 JJADRM O=C(Nc1ccc2c(c1)CCCC2=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC001452164327 1067211506 /nfs/dbraw/zinc/21/15/06/1067211506.db2.gz MZRFOHVNJLUBKZ-UHFFFAOYSA-N -1 0 454.935 4.912 20 0 JJADRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)N2C[C@@H](C)OC3(CCCCC3)C2)c1 ZINC001452658152 1067241896 /nfs/dbraw/zinc/24/18/96/1067241896.db2.gz BJZPEJRIYKDAPI-HXUWFJFHSA-N -1 0 456.608 4.668 20 0 JJADRM C[C@@H](NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC001452958222 1067267761 /nfs/dbraw/zinc/26/77/61/1067267761.db2.gz MQWMPOWKSVSJLQ-SJORKVTESA-N -1 0 459.571 4.853 20 0 JJADRM Cc1sc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2cc(F)ccc2F)nc1C(C)C ZINC001453218663 1067289868 /nfs/dbraw/zinc/28/98/68/1067289868.db2.gz BHAHMLBNPJKCHI-UHFFFAOYSA-N -1 0 451.520 4.906 20 0 JJADRM CCn1c(=O)c2ccc(C(=O)N(Cc3ccccc3)[C@H](C)Cc3ccccc3)cc2[n-]c1=S ZINC001453815783 1067330607 /nfs/dbraw/zinc/33/06/07/1067330607.db2.gz FHXMRYDMGCZLCT-LJQANCHMSA-N -1 0 457.599 4.979 20 0 JJADRM Cc1nc(-c2ccccc2F)sc1C(=O)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC001460036777 1067535611 /nfs/dbraw/zinc/53/56/11/1067535611.db2.gz DJJZJWYLQBDBJT-UHFFFAOYSA-N -1 0 451.445 4.997 20 0 JJADRM O=C([N-][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccccc2Sc2ccccc2)CC1)C(F)(F)F ZINC001460037002 1067536099 /nfs/dbraw/zinc/53/60/99/1067536099.db2.gz FTSYFEBCJVPQSO-CTNGQTDRSA-N -1 0 478.536 4.526 20 0 JJADRM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)c2csc(Cc3ccc(F)cc3)n2)c1 ZINC001460042697 1067537401 /nfs/dbraw/zinc/53/74/01/1067537401.db2.gz WMSYCRLXOVHMJL-UHFFFAOYSA-N -1 0 451.445 4.612 20 0 JJADRM O=C([N-][C@H]1CN(Cc2ncc(-c3ccccc3F)o2)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC001460361276 1067618329 /nfs/dbraw/zinc/61/83/29/1067618329.db2.gz GMBKJUMYPGNPFJ-LPHOPBHVSA-N -1 0 465.422 4.656 20 0 JJADRM Cc1cc(CN2CC[C@@H](c3ccc(F)cc3)[C@@H]([N-]C(=O)C(F)(F)F)C2)ccc1Br ZINC001460390085 1067624423 /nfs/dbraw/zinc/62/44/23/1067624423.db2.gz KYFLQZODDFAJTG-HKUYNNGSSA-N -1 0 473.308 4.933 20 0 JJADRM 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Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NCc2cc(Cl)ccc2OC[C@H]2CCCO2)c1 ZINC001461505203 1067878107 /nfs/dbraw/zinc/87/81/07/1067878107.db2.gz MYEPRYVLFWVTAJ-LJQANCHMSA-N -1 0 456.892 4.997 20 0 JJADRM Cc1ccc(N2CCN(Cc3cc(Br)c([O-])c(Br)c3)CC2)cc1C ZINC001462044128 1067988399 /nfs/dbraw/zinc/98/83/99/1067988399.db2.gz SUBPWJXPHJSVBE-UHFFFAOYSA-N -1 0 454.206 4.856 20 0 JJADRM Cc1ncc(Br)cc1NCc1cc(Br)c([O-])c(Br)c1 ZINC001462263983 1068041243 /nfs/dbraw/zinc/04/12/43/1068041243.db2.gz RNXXGFXSFZSJHD-UHFFFAOYSA-N -1 0 450.956 4.995 20 0 JJADRM O=C([N-][C@@H]1CN(Cc2cc(Br)cnc2Cl)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001462450888 1068077436 /nfs/dbraw/zinc/07/74/36/1068077436.db2.gz ZSTHSLQSARHHQF-HZPDHXFCSA-N -1 0 476.724 4.534 20 0 JJADRM O=S(=O)([N-]CC(c1ccccc1)c1ccccc1)c1cc(F)c(Br)cc1F ZINC001462724839 1068143993 /nfs/dbraw/zinc/14/39/93/1068143993.db2.gz QFFABFHKSADCGC-UHFFFAOYSA-N -1 0 452.320 4.838 20 0 JJADRM O=S(=O)(N=[S@@](=O)(c1ccccc1)C(F)(F)F)[N-][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC001462734520 1068147661 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457.379 4.938 20 0 JJADRM COCCC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1oc2ccccc2c1Br ZINC001463650772 1068480954 /nfs/dbraw/zinc/48/09/54/1068480954.db2.gz OPKHTYNQAHUJJS-MRXNPFEDSA-N -1 0 452.370 4.512 20 0 JJADRM Cc1cccc(Oc2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCC4)ccc3[O-])cc2)c1 ZINC001463683836 1068492329 /nfs/dbraw/zinc/49/23/29/1068492329.db2.gz CWRXQQFFSHCOMF-UHFFFAOYSA-N -1 0 452.532 4.530 20 0 JJADRM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)ccc2OC)cc1 ZINC001463697879 1068497902 /nfs/dbraw/zinc/49/79/02/1068497902.db2.gz CQVUMCJYPNACKZ-ORYQWCPZSA-N -1 0 458.580 4.660 20 0 JJADRM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cccc(C)c3F)ccc2OC)cc1 ZINC001463698630 1068497928 /nfs/dbraw/zinc/49/79/28/1068497928.db2.gz HJTKCWFOYKFQKJ-UHFFFAOYSA-N -1 0 458.511 4.595 20 0 JJADRM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C(C3CCC3)C3CCC3)ccc2OC)cc1 ZINC001463700147 1068498596 /nfs/dbraw/zinc/49/85/96/1068498596.db2.gz PVFNONZKAHJJLZ-UHFFFAOYSA-N -1 0 458.580 4.660 20 0 JJADRM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H]3CC[C@@H]4C[C@@H]4CC3)ccc2OC)cc1 ZINC001463699573 1068498695 /nfs/dbraw/zinc/49/86/95/1068498695.db2.gz MRGHCLSNGHSBFV-BCDXTJNWSA-N -1 0 458.580 4.660 20 0 JJADRM O=S(=O)([N-][C@@H](c1ccccc1)C(F)F)c1csc(-c2cccc(Br)c2)n1 ZINC001463746041 1068510947 /nfs/dbraw/zinc/51/09/47/1068510947.db2.gz DPWRCYFSVNDVIO-HNNXBMFYSA-N -1 0 459.337 4.857 20 0 JJADRM CC(C)Oc1ccc(CNC(=O)c2nn(-c3ccc(Cl)cc3C(F)(F)F)cc2[O-])cc1 ZINC001463869939 1068551361 /nfs/dbraw/zinc/55/13/61/1068551361.db2.gz HDFZULUYYMLLIV-UHFFFAOYSA-N -1 0 453.848 4.967 20 0 JJADRM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)[C@H](C)c3ccc(C)cc3)ccc2F)cc1 ZINC001464070810 1068604912 /nfs/dbraw/zinc/60/49/12/1068604912.db2.gz BXFYLDLQUHNWCY-QGZVFWFLSA-N -1 0 456.539 4.777 20 0 JJADRM CC[C@H](Cc1cn(C)c2ccccc12)[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC001464203760 1068655584 /nfs/dbraw/zinc/65/55/84/1068655584.db2.gz PHPOSYZHDBGRBH-CYBMUJFWSA-N -1 0 457.340 4.519 20 0 JJADRM O=C(NCc1cc2ccccc2o1)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC001464222594 1068663776 /nfs/dbraw/zinc/66/37/76/1068663776.db2.gz SJHNVVHDZRYCGL-UHFFFAOYSA-N -1 0 456.907 4.523 20 0 JJADRM O=C(Nc1ccc(F)c([N-]S(=O)(=O)c2cccs2)c1)c1cc(Cl)nc(C2CC2)c1 ZINC001464223620 1068664396 /nfs/dbraw/zinc/66/43/96/1068664396.db2.gz GRKMWBPMQLNCQJ-UHFFFAOYSA-N -1 0 451.932 4.866 20 0 JJADRM CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cccs2)c1 ZINC001464223441 1068664443 /nfs/dbraw/zinc/66/44/43/1068664443.db2.gz FBOIRSDLSFCFLE-QGZVFWFLSA-N -1 0 452.504 4.623 20 0 JJADRM O=C(Nc1ccc(F)c([N-]S(=O)(=O)c2cccs2)c1)[C@H]1C[C@H]1c1c(F)cccc1F ZINC001464227616 1068665686 /nfs/dbraw/zinc/66/56/86/1068665686.db2.gz PJNZPLISTFXGLQ-OLZOCXBDSA-N -1 0 452.479 4.708 20 0 JJADRM Cc1c2ccccc2c(=O)[nH]c1C(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cccs2)c1 ZINC001464231290 1068667069 /nfs/dbraw/zinc/66/70/69/1068667069.db2.gz UZJBNMUHKUAJNG-UHFFFAOYSA-N -1 0 457.508 4.503 20 0 JJADRM O=C(NCCc1ccc(Cl)s1)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC001464255104 1068677973 /nfs/dbraw/zinc/67/79/73/1068677973.db2.gz HLRKLOTZKKEJSX-UHFFFAOYSA-N -1 0 455.388 4.828 20 0 JJADRM CCCOCc1ccccc1CNC(=O)c1cc(Br)cc(Br)c1[O-] ZINC001464259622 1068679252 /nfs/dbraw/zinc/67/92/52/1068679252.db2.gz JZQDVOLIFTWOAQ-UHFFFAOYSA-N -1 0 457.162 4.774 20 0 JJADRM O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1cc(Br)c(F)cc1[O-] ZINC001464260625 1068679307 /nfs/dbraw/zinc/67/93/07/1068679307.db2.gz MMINZAQYGHYYPS-UHFFFAOYSA-N -1 0 454.189 4.963 20 0 JJADRM O=C(Nc1ccc(-n2ccnc2)c(F)c1)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC001464342834 1068713212 /nfs/dbraw/zinc/71/32/12/1068713212.db2.gz MVHBHMOVONDDEB-UHFFFAOYSA-N -1 0 456.886 4.937 20 0 JJADRM O=C(Nc1cccc(-n2cc[nH]c2=O)c1)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC001464364851 1068720152 /nfs/dbraw/zinc/72/01/52/1068720152.db2.gz KFDXHDRUVVNNGN-UHFFFAOYSA-N -1 0 454.895 4.503 20 0 JJADRM Cc1cccc(OC[C@H](C)NC(=O)c2cc(Cl)ccc2[N-]S(=O)(=O)c2ccccc2)c1 ZINC001464370042 1068721106 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MXWQUNUWJFOHRL-UHFFFAOYSA-N -1 0 459.300 4.938 20 0 JJADRM O=C(Nc1nc(Cc2ccccc2)ns1)c1cnc(Nc2ccccc2)nc1C(F)(F)F ZINC001435097922 1064512776 /nfs/dbraw/zinc/51/27/76/1064512776.db2.gz NEZMHOISMSRMBN-UHFFFAOYSA-N -1 0 456.453 4.934 20 0 JJADRM C[C@H]1[C@@H](c2ccccc2)c2ccccc2CCN1C(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC001435626104 1064887273 /nfs/dbraw/zinc/88/72/73/1064887273.db2.gz FOIIKVIHDUXBGO-AOMKIAJQSA-N -1 0 456.464 4.677 20 0 JJADRM O=C(Nc1ccc(Br)c(Cl)c1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC001545905213 1065515887 /nfs/dbraw/zinc/51/58/87/1065515887.db2.gz TYLBFXJYZNXDAL-UHFFFAOYSA-N -1 0 456.521 4.959 20 0 JJADRM C[C@@H](CC(=O)N1C[C@@H]([N-]C(=O)C(F)(F)F)CC[C@H]1C(F)(F)F)Cc1ccc(Cl)cc1 ZINC001437707337 1065594477 /nfs/dbraw/zinc/59/44/77/1065594477.db2.gz VSCQIJQHVRBUQB-UGFHNGPFSA-N -1 0 458.830 4.509 20 0 JJADRM Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC001438262899 1065704251 /nfs/dbraw/zinc/70/42/51/1065704251.db2.gz CNCDKSLPAGDIHJ-UHFFFAOYSA-N -1 0 452.405 4.939 20 0 JJADRM C[C@@H]1CCN(C(=O)[C@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001440199395 1065923150 /nfs/dbraw/zinc/92/31/50/1065923150.db2.gz LBTOSWHVASXRAL-ZNZDAUKMSA-N -1 0 472.866 4.515 20 0 JJADRM Cc1cc(CCC(=O)Nc2ccc([N-]S(=O)(=O)c3c(Cl)cccc3Cl)cc2)no1 ZINC001440382552 1065935565 /nfs/dbraw/zinc/93/55/65/1065935565.db2.gz SUCFAJBIEMIWME-UHFFFAOYSA-N -1 0 454.335 4.662 20 0 JJADRM Cc1ccc(C)c(Sc2ccc(NC(=O)Cc3c(C)nc(-c4ncccn4)[n-]c3=O)cc2)c1 ZINC001440434273 1065940721 /nfs/dbraw/zinc/94/07/21/1065940721.db2.gz NZAHLCCSXXDLBL-UHFFFAOYSA-N -1 0 457.559 4.897 20 0 JJADRM Cc1nc2ccc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2s1 ZINC001440436686 1065940755 /nfs/dbraw/zinc/94/07/55/1065940755.db2.gz JRTJTNAIEAJIJG-UHFFFAOYSA-N -1 0 459.499 4.936 20 0 JJADRM CCC(C)(C)c1ccc(Oc2ccc(NC(=O)c3ccc(-n4[nH]c(=O)[n-]c4=O)cc3)cc2)cc1 ZINC001440474861 1065942556 /nfs/dbraw/zinc/94/25/56/1065942556.db2.gz NDVYPDDSROWYFZ-UHFFFAOYSA-N -1 0 458.518 4.998 20 0 JJADRM O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccc(I)cc1[O-] ZINC001440754377 1065976501 /nfs/dbraw/zinc/97/65/01/1065976501.db2.gz LQLOWXAUDNAFAA-UHFFFAOYSA-N -1 0 451.260 4.681 20 0 JJADRM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cccc(C(C)=O)c3)ccc2Cl)cc1 ZINC001440757537 1065977152 /nfs/dbraw/zinc/97/71/52/1065977152.db2.gz RXVZDOQALZPKRR-UHFFFAOYSA-N -1 0 458.923 4.604 20 0 JJADRM CC(C)CC[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC001440888899 1065990305 /nfs/dbraw/zinc/99/03/05/1065990305.db2.gz BYAMPXUQTUYJSJ-OAHLLOKOSA-N -1 0 453.402 4.804 20 0 JJADRM O=C(N[C@H](c1ccccc1)C1CC1)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1[O-] ZINC001441014805 1066000909 /nfs/dbraw/zinc/00/09/09/1066000909.db2.gz XAXPIHIDAYPSOI-JOCHJYFZSA-N -1 0 456.951 4.728 20 0 JJADRM Cc1csc([C@H](C)C(=O)Nc2cc(Cl)ccc2[N-]S(=O)(=O)c2ccccc2F)n1 ZINC001441190580 1066013533 /nfs/dbraw/zinc/01/35/33/1066013533.db2.gz VBHZKSIRMGGVBV-GFCCVEGCSA-N -1 0 453.948 4.787 20 0 JJADRM O=C(CCCCCn1c(=O)c2ccccc2[n-]c1=S)N1CCCCC[C@@H]1c1ccncc1 ZINC001441362639 1066034634 /nfs/dbraw/zinc/03/46/34/1066034634.db2.gz BSUSVELVCOOXMF-JOCHJYFZSA-N -1 0 450.608 4.785 20 0 JJADRM CCC(CC)N(CCOC)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC001441616283 1066054538 /nfs/dbraw/zinc/05/45/38/1066054538.db2.gz XIXWUBYCVDDRAB-UHFFFAOYSA-N -1 0 456.967 4.557 20 0 JJADRM COCCOc1cccc(NC(=O)c2nn(-c3ccc(Cl)cc3C(F)(F)F)cc2[O-])c1 ZINC001441747944 1066067845 /nfs/dbraw/zinc/06/78/45/1066067845.db2.gz CKPNPMPQHIGVPS-UHFFFAOYSA-N -1 0 455.820 4.528 20 0 JJADRM C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2[n-]cnc2C(=O)c2ccccc2)cc1Cl ZINC001441819570 1066073566 /nfs/dbraw/zinc/07/35/66/1066073566.db2.gz IAHFCSMGLDKEJC-HNNXBMFYSA-N -1 0 450.926 4.561 20 0 JJADRM CC1(C)CC[C@@H](NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2O)c2ccccc21 ZINC001442471752 1066129250 /nfs/dbraw/zinc/12/92/50/1066129250.db2.gz KQAHKBDROVCZRF-LJQANCHMSA-N -1 0 456.589 4.797 20 0 JJADRM O=C(N[C@H](Cc1cccc(F)c1)c1cccc(F)c1)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC001442536074 1066134144 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XTUXWIRLDQTFOG-QGZVFWFLSA-N -1 0 450.320 4.833 20 0 JJADRM Cc1cc(NC(=O)c2cc(Br)cc(Br)c2[O-])cnc1C(F)(F)F ZINC001454150474 1066249948 /nfs/dbraw/zinc/24/99/48/1066249948.db2.gz MIKHQBUEZLVUHA-UHFFFAOYSA-N -1 0 454.040 4.892 20 0 JJADRM CC[C@H](Cc1ccccc1)NC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1[O-] ZINC001443069941 1066262345 /nfs/dbraw/zinc/26/23/45/1066262345.db2.gz XRINBWRBDRQWDM-GOSISDBHSA-N -1 0 458.967 4.598 20 0 JJADRM Cc1csc([C@@H](C)NC(=O)c2ccccc2[N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)n1 ZINC001443118110 1066270394 /nfs/dbraw/zinc/27/03/94/1066270394.db2.gz XWGJYQKJKKHUAI-GOSISDBHSA-N -1 0 457.621 4.977 20 0 JJADRM Cc1ccc(C[C@@]2(C)CCCN2C(=O)c2ccc([N-]S(=O)(=O)C(F)(F)F)c(C)c2)cc1 ZINC001454336967 1066271879 /nfs/dbraw/zinc/27/18/79/1066271879.db2.gz NNGBWQUHABMNCM-OAQYLSRUSA-N -1 0 454.514 4.802 20 0 JJADRM CCn1c(=O)c2ccc(C(=O)N(C)Cc3ccccc3OCc3ccccc3)cc2[n-]c1=S ZINC001454685802 1066319346 /nfs/dbraw/zinc/31/93/46/1066319346.db2.gz KTECHHRENKBCFX-UHFFFAOYSA-N -1 0 459.571 4.556 20 0 JJADRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)N(C(C)C)C2CCCC2)c1 ZINC001443566929 1066329424 /nfs/dbraw/zinc/32/94/24/1066329424.db2.gz HXFYJDAWAHUNGF-UHFFFAOYSA-N -1 0 450.988 4.943 20 0 JJADRM CC[C@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2OC)c1)c1cc(C)ccc1C ZINC001454770863 1066332311 /nfs/dbraw/zinc/33/23/11/1066332311.db2.gz OREZAVDHNYTXAM-QFIPXVFZSA-N -1 0 452.576 4.994 20 0 JJADRM C[C@H]1CCC[C@H](C)N1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC001443590927 1066334113 /nfs/dbraw/zinc/33/41/13/1066334113.db2.gz ZVLZRGCDCHLSKS-STQMWFEESA-N -1 0 457.415 4.715 20 0 JJADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCC(c3ccc(F)cc3)CC2)cc1 ZINC001454827479 1066335533 /nfs/dbraw/zinc/33/55/33/1066335533.db2.gz BMXRUQBCARWOSN-UHFFFAOYSA-N -1 0 452.551 4.955 20 0 JJADRM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc3nccnc32)ccc1Cl ZINC001454996117 1066350118 /nfs/dbraw/zinc/35/01/18/1066350118.db2.gz XIJDFQXZDFCOGZ-UHFFFAOYSA-N -1 0 452.923 4.645 20 0 JJADRM 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C[C@@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1nc2ccccc2s1 ZINC001444196843 1066427934 /nfs/dbraw/zinc/42/79/34/1066427934.db2.gz CGUKAJQNWKMCJG-CQSZACIVSA-N -1 0 455.536 4.727 20 0 JJADRM O=C(NCC[C@@H]1CC[C@H]2C[C@H]21)c1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC001455850388 1066441150 /nfs/dbraw/zinc/44/11/50/1066441150.db2.gz MDFNVOLVSAXHFZ-DEYYWGMASA-N -1 0 453.391 4.960 20 0 JJADRM C[C@]1(Cc2cccc(Br)c2)CCCN1C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC001455907317 1066449304 /nfs/dbraw/zinc/44/93/04/1066449304.db2.gz YFCDFVUOYQZDMN-JOCHJYFZSA-N -1 0 458.331 4.717 20 0 JJADRM CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC001444326867 1066450112 /nfs/dbraw/zinc/45/01/12/1066450112.db2.gz UPFFCXVEKYITGD-CWTRNNRKSA-N -1 0 453.848 4.756 20 0 JJADRM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N[C@H](C)c1ccccc1-c1ccc(Cl)cc1 ZINC001444397161 1066458283 /nfs/dbraw/zinc/45/82/83/1066458283.db2.gz WQWWALFJIFQVRG-OAHLLOKOSA-N -1 0 459.937 4.688 20 0 JJADRM CON(C[C@@H]1CCCc2ccccc21)C(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC001455976171 1066465220 /nfs/dbraw/zinc/46/52/20/1066465220.db2.gz HTNJVCRYWBFKDG-IBGZPJMESA-N -1 0 456.589 4.673 20 0 JJADRM CCc1cnc(NC(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2ccccc2Cl)c3=O)s1 ZINC001444499358 1066468863 /nfs/dbraw/zinc/46/88/63/1066468863.db2.gz CDHIELKLMZKUPK-UHFFFAOYSA-N -1 0 456.980 4.658 20 0 JJADRM O=C(Nc1cc(F)c(F)c(F)c1)c1ccc2c(c1)[n-]c(=S)n(CCc1ccccc1)c2=O ZINC001444593660 1066479478 /nfs/dbraw/zinc/47/94/78/1066479478.db2.gz FORKRKHODGKLOD-UHFFFAOYSA-N -1 0 455.461 4.598 20 0 JJADRM CC(C)(C)OC(=O)c1cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)F)n[n-]1 ZINC001444661777 1066489625 /nfs/dbraw/zinc/48/96/25/1066489625.db2.gz AIYZZTNOBIPFFF-UHFFFAOYSA-N -1 0 451.417 4.993 20 0 JJADRM O=C(c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1)N1CC[C@H](Cc2ccccc2)C1 ZINC001444666416 1066490194 /nfs/dbraw/zinc/49/01/94/1066490194.db2.gz DMHOUDJYXSELCF-LJQANCHMSA-N -1 0 454.979 4.846 20 0 JJADRM CCSCC[C@H](C)N(C)C(=O)c1ccc2c(c1)[n-]c(=S)n(CCc1ccccc1)c2=O ZINC001444693087 1066493847 /nfs/dbraw/zinc/49/38/47/1066493847.db2.gz YOEMQAKIDHSYFA-KRWDZBQOSA-N -1 0 455.649 4.532 20 0 JJADRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)N(Cc2ccccn2)CC(C)C)c1 ZINC001456068189 1066501290 /nfs/dbraw/zinc/50/12/90/1066501290.db2.gz OYSXJEATHNHMLH-UHFFFAOYSA-N -1 0 451.592 4.798 20 0 JJADRM O=C(NCCCCC1CCCC1)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1[O-] ZINC001444863146 1066514192 /nfs/dbraw/zinc/51/41/92/1066514192.db2.gz WAKAEYBTNNEYMU-UHFFFAOYSA-N -1 0 450.988 4.937 20 0 JJADRM CC[C@@H](Cc1ccccc1)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2OC)c1 ZINC001444890922 1066516331 /nfs/dbraw/zinc/51/63/31/1066516331.db2.gz FCFHEFPTQLJSLV-NRFANRHFSA-N -1 0 452.576 4.589 20 0 JJADRM CS[C@H]1CC[C@H](NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC001445076290 1066536436 /nfs/dbraw/zinc/53/64/36/1066536436.db2.gz CEYQAOZNRWRSPO-STQMWFEESA-N -1 0 459.420 4.808 20 0 JJADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2nccs2)c1 ZINC001445084344 1066538227 /nfs/dbraw/zinc/53/82/27/1066538227.db2.gz UPEVDILPSNCLQU-IBGZPJMESA-N -1 0 459.593 4.863 20 0 JJADRM C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC001445371426 1066563358 /nfs/dbraw/zinc/56/33/58/1066563358.db2.gz ADNWTCHVQGTBCL-GHTZIAJQSA-N -1 0 454.617 4.571 20 0 JJADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc3c(c2)C(=O)CCC3)ccc1F ZINC001445375117 1066564399 /nfs/dbraw/zinc/56/43/99/1066564399.db2.gz TUHTXSHMDMSEAX-UHFFFAOYSA-N -1 0 452.507 4.706 20 0 JJADRM CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1cccc(C(F)(F)F)c1[O-] ZINC001445865675 1066628452 /nfs/dbraw/zinc/62/84/52/1066628452.db2.gz WXBGDNLHHVKEQA-OAHLLOKOSA-N -1 0 450.240 4.622 20 0 JJADRM C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)CCCCCn1c(=O)c2ccccc2[n-]c1=S ZINC001446048612 1066652095 /nfs/dbraw/zinc/65/20/95/1066652095.db2.gz PCFFKQPYMZTXAC-OAHLLOKOSA-N -1 0 457.546 4.670 20 0 JJADRM 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Cc1nc(-c2ccncc2)[nH]c(=O)c1CCC(=O)NCc1ccc(Sc2ccccc2)cc1 ZINC001446437087 1066705631 /nfs/dbraw/zinc/70/56/31/1066705631.db2.gz YYLDSTAJPDVYQX-UHFFFAOYSA-N -1 0 456.571 4.541 20 0 JJADRM CC(C)(C)Oc1ccncc1NC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC001446532874 1066717121 /nfs/dbraw/zinc/71/71/21/1066717121.db2.gz HCBMUUGKTYYZSK-UHFFFAOYSA-N -1 0 459.955 4.965 20 0 JJADRM COc1cccc(C(C)(C)CNC(=O)c2sccc2S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC001446614106 1066725728 /nfs/dbraw/zinc/72/57/28/1066725728.db2.gz MCLQTAVSMFEPAI-UHFFFAOYSA-N -1 0 458.605 4.574 20 0 JJADRM O=C(NCC1(Cc2ccc(F)cc2)CC1)c1cc(Br)cc(Br)c1[O-] ZINC001446888173 1066754287 /nfs/dbraw/zinc/75/42/87/1066754287.db2.gz KTACYZDXZBRSFX-UHFFFAOYSA-N -1 0 457.137 4.809 20 0 JJADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N[C@H]1CCCCC[C@@H]1c1ccccc1C(F)(F)F ZINC001447006164 1066764933 /nfs/dbraw/zinc/76/49/33/1066764933.db2.gz DIGOUEGZUFZABL-PVAVHDDUSA-N -1 0 452.439 4.941 20 0 JJADRM 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1066815489 /nfs/dbraw/zinc/81/54/89/1066815489.db2.gz RYYPYGOGSKMZGQ-UHFFFAOYSA-N -1 0 452.761 4.682 20 0 JJADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCc3cc(Cl)ccc3C2)ccc1F ZINC001447663933 1066839231 /nfs/dbraw/zinc/83/92/31/1066839231.db2.gz YTBHWVJMYWEMNU-UHFFFAOYSA-N -1 0 458.942 4.787 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)ccc1C ZINC001457478639 1066840132 /nfs/dbraw/zinc/84/01/32/1066840132.db2.gz JNAZNLPOHAEASI-QKNQBKEWSA-N -1 0 456.608 4.893 20 0 JJADRM CC[C@@H](CN(C)C(=O)c1nn(-c2cccc(F)c2)cc1[O-])Oc1ccc(Cl)c(Cl)c1 ZINC001447700440 1066844543 /nfs/dbraw/zinc/84/45/43/1066844543.db2.gz GCZJVQYGZDELRQ-HNNXBMFYSA-N -1 0 452.313 4.953 20 0 JJADRM COc1ccc(NC(=O)[C@@H]2[C@H](C)[C@H]2c2ccccc2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC001457504091 1066844874 /nfs/dbraw/zinc/84/48/74/1066844874.db2.gz MGCRODMPRMBLMQ-AIYSXCBHSA-N -1 0 454.523 4.623 20 0 JJADRM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(C)cc3C)ccc2Cl)cc1 ZINC001457532539 1066853750 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1067102054 /nfs/dbraw/zinc/10/20/54/1067102054.db2.gz RXGCWNAEZABERR-UHFFFAOYSA-N -1 0 458.331 4.640 20 0 JJADRM COc1ccc(-n2c(SCc3nnn[n-]3)nnc2-c2ccc(C(C)(C)C)cc2)cc1Cl ZINC001458726813 1067119805 /nfs/dbraw/zinc/11/98/05/1067119805.db2.gz DEGGRNLDWSUEDY-UHFFFAOYSA-N -1 0 455.975 4.699 20 0 JJADRM Cc1ccc(F)c(-c2cc(NC(=O)c3ccc([N-]S(=O)(=O)c4cccs4)cc3)n[nH]2)c1 ZINC001450894654 1067134645 /nfs/dbraw/zinc/13/46/45/1067134645.db2.gz UEAUDFLBNVGAAF-UHFFFAOYSA-N -1 0 456.524 4.639 20 0 JJADRM O=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C1([N-]C(=O)C(F)(F)F)CCCC1 ZINC001458791994 1067148780 /nfs/dbraw/zinc/14/87/80/1067148780.db2.gz HTHOHYRNOBTJFU-UHFFFAOYSA-N -1 0 453.844 4.510 20 0 JJADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccnc(Cl)c2)c1C ZINC001451413983 1067169772 /nfs/dbraw/zinc/16/97/72/1067169772.db2.gz BVWQUZTXQGYZHD-UHFFFAOYSA-N -1 0 457.983 4.699 20 0 JJADRM CCc1c([O-])nc(SCc2cscc2Br)n(-c2ccccc2OC)c1=O ZINC001458939534 1067203340 /nfs/dbraw/zinc/20/33/40/1067203340.db2.gz IGMFCYSKYCOEMF-UHFFFAOYSA-N -1 0 453.383 4.625 20 0 JJADRM O=C(N[C@@H](c1c[nH]c2cccc(F)c21)C(F)(F)F)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC001452153321 1067210317 /nfs/dbraw/zinc/21/03/17/1067210317.db2.gz PQDROQOUMIBNPS-SFHVURJKSA-N -1 0 452.795 4.885 20 0 JJADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2cc([C@H]3C[C@H]3C)[nH]n2)c1C ZINC001452309117 1067219381 /nfs/dbraw/zinc/21/93/81/1067219381.db2.gz BEUVJAPEKMKIKG-BEFAXECRSA-N -1 0 452.580 4.820 20 0 JJADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2cc([C@@H]3C[C@@H]3C)[nH]n2)c1C ZINC001452309209 1067219395 /nfs/dbraw/zinc/21/93/95/1067219395.db2.gz BEUVJAPEKMKIKG-HNAYVOBHSA-N -1 0 452.580 4.820 20 0 JJADRM O=C(NCC1CCC(F)CC1)c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC001452770228 1067250861 /nfs/dbraw/zinc/25/08/61/1067250861.db2.gz STVGAYPXBMZTGV-UHFFFAOYSA-N -1 0 458.477 4.764 20 0 JJADRM C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)c1cc(Br)cc(F)c1[O-] ZINC001453033080 1067274976 /nfs/dbraw/zinc/27/49/76/1067274976.db2.gz LIRAPLYRKBVTIE-DYZYQPBXSA-N -1 0 473.136 4.659 20 0 JJADRM O=C(Cc1ccc(Cl)cc1Cl)N1CC[C@@H](c2ccc(F)cc2)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001453124477 1067281027 /nfs/dbraw/zinc/28/10/27/1067281027.db2.gz IHFLDVKJWKYKLP-WMZOPIPTSA-N -1 0 477.285 4.738 20 0 JJADRM Cc1cc(C)c(/C=C\C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@@H]([N-]C(=O)C(F)(F)F)C2)cc1C ZINC001453125658 1067281473 /nfs/dbraw/zinc/28/14/73/1067281473.db2.gz KCKMXIPGUXYJGY-CSFCRNIUSA-N -1 0 462.487 4.827 20 0 JJADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@@H](CCc2ccccc2)C(F)F)cc1 ZINC001453496736 1067309630 /nfs/dbraw/zinc/30/96/30/1067309630.db2.gz JUISYLFVHJEFGO-QFIPXVFZSA-N -1 0 458.530 4.792 20 0 JJADRM O=C([N-][C@@H]1CN(C(=O)c2csc(-c3cccs3)n2)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001453682516 1067322040 /nfs/dbraw/zinc/32/20/40/1067322040.db2.gz NELLKJIXHNNVDV-HUUCEWRRSA-N -1 0 465.522 4.548 20 0 JJADRM CNc1ccc(Cl)c(C(=O)Nc2c(C([O-])(C(F)(F)F)C(F)(F)F)cnn2C(C)C)c1 ZINC001453838704 1067331974 /nfs/dbraw/zinc/33/19/74/1067331974.db2.gz DADIXJFSDGBBEK-UHFFFAOYSA-N -1 0 458.790 4.724 20 0 JJADRM C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)CN1Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC001460274776 1067595805 /nfs/dbraw/zinc/59/58/05/1067595805.db2.gz YTSFCYXSQOLIIW-ZBFHGGJFSA-N -1 0 457.571 4.733 20 0 JJADRM Cc1ccccc1-c1noc([C@H](C)N2CC[C@@H](c3cccc(F)c3)[C@@H]([N-]C(=O)C(F)(F)F)C2)n1 ZINC001460362151 1067618475 /nfs/dbraw/zinc/61/84/75/1067618475.db2.gz JETZBQXYKJYPDP-YSSFQJQWSA-N -1 0 476.474 4.782 20 0 JJADRM COC(=O)[C@H](c1cccc(Cl)c1Cl)N(C)Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC001460514332 1067647241 /nfs/dbraw/zinc/64/72/41/1067647241.db2.gz ZFHFIYZVHKMBFB-IBGZPJMESA-N -1 0 456.709 4.805 20 0 JJADRM O=C(CCc1nc2cc(Cl)ccc2s1)Nc1cc(F)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC001462007964 1067979096 /nfs/dbraw/zinc/97/90/96/1067979096.db2.gz JEFCXUGOGWCKCO-UHFFFAOYSA-N -1 0 459.852 4.839 20 0 JJADRM Cc1cc(Br)ccc1[C@@H]1CCCN1C(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC001462106226 1068004091 /nfs/dbraw/zinc/00/40/91/1068004091.db2.gz UHLMWZILWWQWII-HNNXBMFYSA-N -1 0 459.262 4.506 20 0 JJADRM O=C([N-][C@@H]1CC[C@@H](C(F)(F)F)N(Cc2oc3ccccc3c2Br)C1)C(F)(F)F ZINC001462379352 1068062804 /nfs/dbraw/zinc/06/28/04/1068062804.db2.gz GEXSFFYQXJVTQK-RNCFNFMXSA-N -1 0 473.211 4.769 20 0 JJADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(OS(=O)(=O)c3cccc(C(F)F)c3)cc2)s1 ZINC001462829827 1068181460 /nfs/dbraw/zinc/18/14/60/1068181460.db2.gz DWGAEIVWPHCQEA-UHFFFAOYSA-N -1 0 459.517 4.563 20 0 JJADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H](Cc2ccc(Cl)cc2)c2ccccc2)oc1Cl ZINC001462894286 1068206070 /nfs/dbraw/zinc/20/60/70/1068206070.db2.gz PIQLIRLBXNYNKF-QGZVFWFLSA-N -1 0 454.331 4.635 20 0 JJADRM COC(=O)c1cc(S(=O)(=O)[N-][C@H](Cc2ccccc2Cl)c2ccccc2)oc1Cl ZINC001462950393 1068226169 /nfs/dbraw/zinc/22/61/69/1068226169.db2.gz DWVIYGYRCDMNNI-QGZVFWFLSA-N -1 0 454.331 4.635 20 0 JJADRM CC(C)(C[N-]S(=O)(=O)c1scc(Br)c1Br)c1cccs1 ZINC001463102181 1068288158 /nfs/dbraw/zinc/28/81/58/1068288158.db2.gz VAROMXSLJJSZLE-UHFFFAOYSA-N -1 0 459.250 4.591 20 0 JJADRM O=S(=O)([N-][C@@H](c1ccccc1OC(F)F)C(F)(F)F)c1cc(Cl)cnc1Cl ZINC001463437755 1068397271 /nfs/dbraw/zinc/39/72/71/1068397271.db2.gz PUBVHKUWDRCENT-NSHDSACASA-N -1 0 451.200 4.572 20 0 JJADRM O=S(=O)([N-][C@@H](C1CCCCC1)C(F)(F)F)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC001463487580 1068417067 /nfs/dbraw/zinc/41/70/67/1068417067.db2.gz CMVWYOVBSFMUAH-ACJLOTCBSA-N -1 0 455.926 4.545 20 0 JJADRM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H](C)C2(c3ccccc3)CCCC2)c(F)c1Cl ZINC001463537383 1068433113 /nfs/dbraw/zinc/43/31/13/1068433113.db2.gz HSMWXMGECCLJNW-ZDUSSCGKSA-N -1 0 456.942 4.755 20 0 JJADRM O=C(C[C@H]1CCCC[C@@H]1O)Nc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC001463563905 1068445818 /nfs/dbraw/zinc/44/58/18/1068445818.db2.gz WNJGRHRYAXHJEK-ACJLOTCBSA-N -1 0 457.379 4.674 20 0 JJADRM O=C(Nc1ccc(Cl)cc1F)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1[O-] ZINC001463601823 1068461882 /nfs/dbraw/zinc/46/18/82/1068461882.db2.gz FBSHUSJCMQXXNC-UHFFFAOYSA-N -1 0 455.294 4.891 20 0 JJADRM Cc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)NCc2cccc(C(F)(F)F)c2)cc1 ZINC001463684121 1068493009 /nfs/dbraw/zinc/49/30/09/1068493009.db2.gz GGUSEUGBBJHCQB-UHFFFAOYSA-N -1 0 454.495 4.806 20 0 JJADRM O=C(NCCc1nc2ccccc2s1)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC001463775858 1068521732 /nfs/dbraw/zinc/52/17/32/1068521732.db2.gz OTBHUOUDXXVPSQ-UHFFFAOYSA-N -1 0 457.964 4.942 20 0 JJADRM Cc1cc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC001463822691 1068535727 /nfs/dbraw/zinc/53/57/27/1068535727.db2.gz DGEPSHOHGFLYHL-UHFFFAOYSA-N -1 0 458.792 4.764 20 0 JJADRM O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1cccc(I)c1[O-] ZINC001463849774 1068547820 /nfs/dbraw/zinc/54/78/20/1068547820.db2.gz VEPIGRCWLPKNRD-UHFFFAOYSA-N -1 0 451.260 4.681 20 0 JJADRM O=C(NCC1(c2ccccc2)CCC1)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC001463888725 1068556505 /nfs/dbraw/zinc/55/65/05/1068556505.db2.gz UFZAIKKGCNEALT-UHFFFAOYSA-N -1 0 454.979 4.993 20 0 JJADRM CC(C)Cc1ccc([C@H](NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2[O-])C(C)C)cc1 ZINC001463963394 1068576300 /nfs/dbraw/zinc/57/63/00/1068576300.db2.gz SBCJBARBZALKHS-XMMPIXPASA-N -1 0 458.624 4.502 20 0 JJADRM Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1cc(Br)c(F)cc1[O-] ZINC001463972384 1068578813 /nfs/dbraw/zinc/57/88/13/1068578813.db2.gz XGSXHVOZXFGIDP-UHFFFAOYSA-N -1 0 459.319 4.839 20 0 JJADRM CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC001463972827 1068579253 /nfs/dbraw/zinc/57/92/53/1068579253.db2.gz AFICDCAMZWKYBN-UHFFFAOYSA-N -1 0 454.246 4.628 20 0 JJADRM O=S(=O)(NCC1(c2cccc(OC(F)(F)F)c2)CCC1)c1cnc(Cl)cc1Cl ZINC001463978598 1068580399 /nfs/dbraw/zinc/58/03/99/1068580399.db2.gz NXDDXJUPCUEHAW-UHFFFAOYSA-N -1 0 455.285 4.687 20 0 JJADRM Cc1cc(C)c(CNC(=O)c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2[O-])c(C)c1 ZINC001464065232 1068603437 /nfs/dbraw/zinc/60/34/37/1068603437.db2.gz JCRSHQMDPCFHQP-UHFFFAOYSA-N -1 0 458.967 4.702 20 0 JJADRM CCN(Cc1cccc(NC(=O)c2nn(-c3ccccc3F)cc2[O-])c1)C(=O)OC(C)(C)C ZINC001464086762 1068610377 /nfs/dbraw/zinc/61/03/77/1068610377.db2.gz DRIDAWSACOFBQA-UHFFFAOYSA-N -1 0 454.502 4.726 20 0 JJADRM COc1cc(C)ccc1Oc1ccc(NC(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])cn1 ZINC001464127771 1068625470 /nfs/dbraw/zinc/62/54/70/1068625470.db2.gz FPBYEBXKMWJKKR-UHFFFAOYSA-N -1 0 452.417 4.613 20 0 JJADRM Cc1cc(=O)[nH]c2cc(C(=O)Nc3ccc(F)c([N-]S(=O)(=O)c4cccs4)c3)ccc12 ZINC001464223996 1068664333 /nfs/dbraw/zinc/66/43/33/1068664333.db2.gz HMHRZRDIWPEFHP-UHFFFAOYSA-N -1 0 457.508 4.503 20 0 JJADRM CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1[O-])c1ccccc1OCC(=O)N1CCCC1 ZINC001464290375 1068693456 /nfs/dbraw/zinc/69/34/56/1068693456.db2.gz FCXGEWPMMUDTHL-GOSISDBHSA-N -1 0 451.350 4.581 20 0 JJADRM O=S(=O)([N-]C[C@@H]1CC=CC[C@H]1C(F)(F)F)c1c(Cl)cc(F)cc1Br ZINC001464309020 1068700113 /nfs/dbraw/zinc/70/01/13/1068700113.db2.gz NPCCOZLPRQJRDK-WCBMZHEXSA-N -1 0 450.679 4.665 20 0 JJADRM Cc1nc(-c2cccc(NC(=O)c3ccsc3NC(=O)c3ccc(Cl)cc3[O-])c2)n[nH]1 ZINC001464349798 1068715491 /nfs/dbraw/zinc/71/54/91/1068715491.db2.gz SDGXRPRWAAKMLC-UHFFFAOYSA-N -1 0 453.911 4.705 20 0 JJADRM CC(C)COc1cccc(CNC(=O)c2cc(Br)c([O-])c(Br)c2)c1 ZINC001464419857 1068739162 /nfs/dbraw/zinc/73/91/62/1068739162.db2.gz KCNCOZMFNCLZNC-UHFFFAOYSA-N -1 0 457.162 4.882 20 0 JJADRM O=C(N[C@@H](c1ccc(F)cc1)C1CCCC1)c1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC001464595682 1068794337 /nfs/dbraw/zinc/79/43/37/1068794337.db2.gz CBCYPHDIFIJJGV-HXUWFJFHSA-N -1 0 459.568 4.744 20 0 JJADRM COc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@H](C)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC001545850584 1064261259 /nfs/dbraw/zinc/26/12/59/1064261259.db2.gz LHYRACNPVRGKCD-AYOQOUSVSA-N -1 0 456.589 4.538 20 0 JJADRM C[C@@H](NC(=O)Cc1cccc(C(F)F)c1)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC001545853766 1064263106 /nfs/dbraw/zinc/26/31/06/1064263106.db2.gz SQJGXSOYZGJXPP-CQSZACIVSA-N -1 0 450.532 4.906 20 0 JJADRM COc1cccc2[nH]c(C(=O)N[C@H](C)c3ccccc3[N-]S(=O)(=O)c3cccs3)cc21 ZINC001545853747 1064263274 /nfs/dbraw/zinc/26/32/74/1064263274.db2.gz SETQNOOEYZNSTA-CQSZACIVSA-N -1 0 455.561 4.530 20 0 JJADRM CCOC(=O)c1cnc(NC(=O)Cn2c3ccccc3nc2-c2cccc(Cl)c2Cl)[n-]1 ZINC001436225770 1065264892 /nfs/dbraw/zinc/26/48/92/1065264892.db2.gz DZECSKOZZGPXJH-UHFFFAOYSA-N -1 0 458.305 4.549 20 0 JJADRM Cc1ccc(COc2c(C)cc(CN(C)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)cc2C)cc1 ZINC001360427022 1065296783 /nfs/dbraw/zinc/29/67/83/1065296783.db2.gz NTCRXAJBVSNKBR-UHFFFAOYSA-N -1 0 450.501 4.606 20 0 JJADRM O=C([N-][C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2cc3c(s2)-c2ccccc2OC3)C1)C(F)(F)F ZINC001437133757 1065511511 /nfs/dbraw/zinc/51/15/11/1065511511.db2.gz POYJFNGTHZDQOH-ABAIWWIYSA-N -1 0 478.414 4.522 20 0 JJADRM Cc1cc(C)c(/C=C\C(=O)N2CC[C@@H](c3cccc(F)c3)[C@@H]([N-]C(=O)C(F)(F)F)C2)cc1C ZINC001437475883 1065559192 /nfs/dbraw/zinc/55/91/92/1065559192.db2.gz OCLCWHBXPKVQKH-UMYSHWSVSA-N -1 0 462.487 4.827 20 0 JJADRM O=C([N-][C@H]1CC[C@@H](C(F)(F)F)N(C(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)C1)C(F)(F)F ZINC001437706780 1065593922 /nfs/dbraw/zinc/59/39/22/1065593922.db2.gz UHBPBHOSKCAEIX-XSLAGTTESA-N -1 0 458.402 4.544 20 0 JJADRM O=C(Nc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1)[C@]12CCC[C@H]1OCC2 ZINC001440365497 1065932942 /nfs/dbraw/zinc/93/29/42/1065932942.db2.gz AEXHCIWAKQMOGO-XLIONFOSSA-N -1 0 455.363 4.692 20 0 JJADRM Cc1cc(C=O)c([O-])c(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)c1 ZINC001440390315 1065937558 /nfs/dbraw/zinc/93/75/58/1065937558.db2.gz VDRWJAJXPZONQD-UHFFFAOYSA-N -1 0 458.923 4.528 20 0 JJADRM CCOc1cccc2cc([C@H](C)NC(=O)c3ccccc3[N-]S(=O)(=O)C(F)(F)F)oc21 ZINC001440648958 1065958528 /nfs/dbraw/zinc/95/85/28/1065958528.db2.gz HDGKUDYMHXWAKO-LBPRGKRZSA-N -1 0 456.442 4.584 20 0 JJADRM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc(C(F)F)o3)ccc2Cl)cc1 ZINC001440755178 1065976337 /nfs/dbraw/zinc/97/63/37/1065976337.db2.gz XEWGIYDWQOXALA-UHFFFAOYSA-N -1 0 456.854 4.932 20 0 JJADRM CCN(Cc1cccs1)C(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC001441039529 1066002725 /nfs/dbraw/zinc/00/27/25/1066002725.db2.gz PVTNGLKYDVZDHJ-UHFFFAOYSA-N -1 0 450.969 4.570 20 0 JJADRM O=C(NC[C@H]1CCCc2ccccc21)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC001441075730 1066006076 /nfs/dbraw/zinc/00/60/76/1066006076.db2.gz HJMOCMKFKJPSTC-GOSISDBHSA-N -1 0 454.979 4.991 20 0 JJADRM CCCN(Cc1ccc(F)cc1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2OC)cc1 ZINC001441143651 1066010504 /nfs/dbraw/zinc/01/05/04/1066010504.db2.gz DNBITCYMPOVWPF-UHFFFAOYSA-N -1 0 456.539 4.688 20 0 JJADRM Cc1csc([C@@H](C)C(=O)Nc2cc(Cl)ccc2[N-]S(=O)(=O)c2ccccc2F)n1 ZINC001441190582 1066013511 /nfs/dbraw/zinc/01/35/11/1066013511.db2.gz VBHZKSIRMGGVBV-LBPRGKRZSA-N -1 0 453.948 4.787 20 0 JJADRM C[C@@H](C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]c2ccc(Br)cc2)c1)C1CCC1 ZINC001441413314 1066038716 /nfs/dbraw/zinc/03/87/16/1066038716.db2.gz MSJIIUOLWMVJIF-GFCCVEGCSA-N -1 0 455.349 4.764 20 0 JJADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)Nc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)n2)c1 ZINC001441555213 1066050790 /nfs/dbraw/zinc/05/07/90/1066050790.db2.gz AVPVMSHJVVSYMR-IRXDYDNUSA-N -1 0 452.530 4.706 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)NCCC(C)(C)c2ccccc2)c1 ZINC001442113130 1066095707 /nfs/dbraw/zinc/09/57/07/1066095707.db2.gz KUZQRKYOHIXAOP-UHFFFAOYSA-N -1 0 452.576 4.594 20 0 JJADRM Cc1cccc(CC(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccccc2)c1Br ZINC001442370782 1066120885 /nfs/dbraw/zinc/12/08/85/1066120885.db2.gz CUTSUBPXQDXOTQ-UHFFFAOYSA-N -1 0 459.365 4.740 20 0 JJADRM COc1ccc([C@@H](Cc2ccccc2C)NC(=O)c2nn(-c3ccccc3)cc2[O-])cc1OC ZINC001442469173 1066128569 /nfs/dbraw/zinc/12/85/69/1066128569.db2.gz JMNQLCUVPCVROK-JOCHJYFZSA-N -1 0 457.530 4.617 20 0 JJADRM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCC(C)(C)c2cccc(C)c2)cc1 ZINC001442570482 1066139535 /nfs/dbraw/zinc/13/95/35/1066139535.db2.gz HNUCXRKJGZQAJU-UHFFFAOYSA-N -1 0 452.576 4.512 20 0 JJADRM COc1ccc(Br)cc1OC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC001454014794 1066235179 /nfs/dbraw/zinc/23/51/79/1066235179.db2.gz IPZGGTISCFFFHG-UHFFFAOYSA-N -1 0 457.202 4.587 20 0 JJADRM O=C(NCc1ccc(OCc2cccc(F)c2)cc1)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC001443046282 1066258189 /nfs/dbraw/zinc/25/81/89/1066258189.db2.gz QTFXFQAIAJGSJE-UHFFFAOYSA-N -1 0 451.885 4.879 20 0 JJADRM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1ccc(COc2ccc(Br)cc2)o1 ZINC001454280231 1066264279 /nfs/dbraw/zinc/26/42/79/1066264279.db2.gz GUFQNBFIRMVPKY-UHFFFAOYSA-N -1 0 454.280 4.765 20 0 JJADRM Cc1ccc(C[C@]2(C)CCCN2C(=O)c2ccc([N-]S(=O)(=O)C(F)(F)F)c(C)c2)cc1 ZINC001454336964 1066271579 /nfs/dbraw/zinc/27/15/79/1066271579.db2.gz NNGBWQUHABMNCM-NRFANRHFSA-N -1 0 454.514 4.802 20 0 JJADRM C[C@@H](CC1CCC1)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC001454338829 1066272252 /nfs/dbraw/zinc/27/22/52/1066272252.db2.gz IHGSNEUWOVVMPT-AWEZNQCLSA-N -1 0 451.386 4.558 20 0 JJADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccnc(-c3ccccc3)c2)cc1 ZINC001454506509 1066294552 /nfs/dbraw/zinc/29/45/52/1066294552.db2.gz RIZIQXRTYKJEFZ-UHFFFAOYSA-N -1 0 457.555 4.788 20 0 JJADRM O=C(CCSc1nc2ccccc2s1)Nc1cc(F)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC001454509858 1066295152 /nfs/dbraw/zinc/29/51/52/1066295152.db2.gz CRJOIVPXPVYENY-UHFFFAOYSA-N -1 0 457.474 4.735 20 0 JJADRM C[C@H](CNC(=O)c1cc2ccccc2cc1[N-]S(=O)(=O)c1cccs1)c1ccncc1 ZINC001454550765 1066300356 /nfs/dbraw/zinc/30/03/56/1066300356.db2.gz YWDNGQVSJSKZBF-MRXNPFEDSA-N -1 0 451.573 4.631 20 0 JJADRM COc1cc(C)cc(NC(=O)c2ccc(OC)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)c1C ZINC001454597006 1066307592 /nfs/dbraw/zinc/30/75/92/1066307592.db2.gz ZOANICXEQKNCNK-UHFFFAOYSA-N -1 0 454.548 4.682 20 0 JJADRM O=C(NC[C@]1(Cc2ccccc2)C=CCCC1)c1cccc([N-]S(=O)(=O)C(F)(F)F)c1 ZINC001454658089 1066317242 /nfs/dbraw/zinc/31/72/42/1066317242.db2.gz KUDIEIKPDUNZMT-OAQYLSRUSA-N -1 0 452.498 4.647 20 0 JJADRM COc1ccc(N(Cc2ccc(C(C)C)cc2)C(=O)c2nc[n-]c(=O)c2Br)cc1 ZINC001443638846 1066342891 /nfs/dbraw/zinc/34/28/91/1066342891.db2.gz ZPLXYCXNHDCFER-UHFFFAOYSA-N -1 0 456.340 4.924 20 0 JJADRM COc1ccc(C(=O)N2CC([C@H]3CCC[C@H](C)C3)C2)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC001455005308 1066352063 /nfs/dbraw/zinc/35/20/63/1066352063.db2.gz UXDWYVFDVIISSV-OALUTQOASA-N -1 0 456.608 4.703 20 0 JJADRM O=C(N[C@@H]1c2ccccc2CC[C@H]1F)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC001455165164 1066367153 /nfs/dbraw/zinc/36/71/53/1066367153.db2.gz FWLLRLBDIIWYIS-IFMALSPDSA-N -1 0 458.942 4.896 20 0 JJADRM CC(C)(C)CCN(CCc1ccccc1)C(=O)c1cnc(I)c([O-])c1 ZINC001455196955 1066369735 /nfs/dbraw/zinc/36/97/35/1066369735.db2.gz WRFBETOZRGQBOP-UHFFFAOYSA-N -1 0 452.336 4.513 20 0 JJADRM O=C(NCC1(CC2CC2)CC1)c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC001455274488 1066378356 /nfs/dbraw/zinc/37/83/56/1066378356.db2.gz PWZHSAZBBJYDNT-UHFFFAOYSA-N -1 0 452.498 4.816 20 0 JJADRM COc1ccc(CCN(CC(C)C)C(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])cc1OC ZINC001443886268 1066381259 /nfs/dbraw/zinc/38/12/59/1066381259.db2.gz APJVFABTTSABCY-UHFFFAOYSA-N -1 0 457.958 4.589 20 0 JJADRM CCCOc1ccc(O[C@H]2CCCC[C@H]2NC(=O)c2nn(-c3cccc(F)c3)cc2[O-])cc1 ZINC001443892834 1066381846 /nfs/dbraw/zinc/38/18/46/1066381846.db2.gz PVWLNMDOFCFDSA-GGAORHGYSA-N -1 0 453.514 4.626 20 0 JJADRM CCCOc1ccc(O[C@H]2CCCC[C@@H]2NC(=O)c2nn(-c3cccc(F)c3)cc2[O-])cc1 ZINC001443892836 1066381945 /nfs/dbraw/zinc/38/19/45/1066381945.db2.gz PVWLNMDOFCFDSA-GMAHTHKFSA-N -1 0 453.514 4.626 20 0 JJADRM COc1ccc(C(=O)N2CCC[C@]3(CC=CCC3)C2)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC001443897576 1066383157 /nfs/dbraw/zinc/38/31/57/1066383157.db2.gz QNLCADOJRSFJIV-RUZDIDTESA-N -1 0 454.592 4.767 20 0 JJADRM CC(C)CN(Cc1nnn[n-]1)C(=O)c1cc(C(F)(F)F)ccc1Sc1cccc(F)c1 ZINC001455325578 1066383484 /nfs/dbraw/zinc/38/34/84/1066383484.db2.gz XWZHFQOMRKXQCX-UHFFFAOYSA-N -1 0 453.465 4.807 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2ccnc(-c3ccccc3)c2)c1 ZINC001443909314 1066384221 /nfs/dbraw/zinc/38/42/21/1066384221.db2.gz GMJYJOBDWRTPJX-UHFFFAOYSA-N -1 0 459.527 4.810 20 0 JJADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@H](Cc2ccccc2)C2CC2)ccc1F ZINC001443978994 1066390226 /nfs/dbraw/zinc/39/02/26/1066390226.db2.gz OFMBPZAKVDVXKC-XMMPIXPASA-N -1 0 452.551 4.686 20 0 JJADRM COc1ccc(C(=O)NC(C)(C)c2cccc(F)c2)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC001443992036 1066392053 /nfs/dbraw/zinc/39/20/53/1066392053.db2.gz KNXSVAPWRMMLIP-UHFFFAOYSA-N -1 0 456.539 4.609 20 0 JJADRM CC[C@](C)(NC(=O)c1ccc2c(c1)[n-]c(=S)n(CCc1ccccc1)c2=O)c1ccccc1 ZINC001444155524 1066420031 /nfs/dbraw/zinc/42/00/31/1066420031.db2.gz LXUARJQHKBEKLE-MHZLTWQESA-N -1 0 457.599 4.983 20 0 JJADRM CC1(C)[C@@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)Nc1ccc(OCc2nnn[n-]2)cc1 ZINC001444204282 1066429226 /nfs/dbraw/zinc/42/92/26/1066429226.db2.gz FRWQROVBWFZRLI-OWIHBLHKSA-N -1 0 458.349 4.923 20 0 JJADRM CCCC[C@H](COC)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC001444322963 1066448827 /nfs/dbraw/zinc/44/88/27/1066448827.db2.gz QJLYFMUNRYRSBZ-QGZVFWFLSA-N -1 0 459.395 4.729 20 0 JJADRM C[C@@]1(Cc2cccc(Br)c2)CCCN1C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC001455907322 1066449256 /nfs/dbraw/zinc/44/92/56/1066449256.db2.gz YFCDFVUOYQZDMN-QFIPXVFZSA-N -1 0 458.331 4.717 20 0 JJADRM Cc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)CC3CCC(C(C)(C)C)CC3)cc2)s1 ZINC001455935856 1066455204 /nfs/dbraw/zinc/45/52/04/1066455204.db2.gz XJYLFSNUTFLWTD-UHFFFAOYSA-N -1 0 450.630 4.828 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@H](C)Cc2ccc(C)cc2)cc1 ZINC001444369513 1066456082 /nfs/dbraw/zinc/45/60/82/1066456082.db2.gz ZDGNROLYNMRFBI-LJQANCHMSA-N -1 0 452.576 4.508 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NC[C@@H](C)c2ccc(C)cc2)c1 ZINC001444461533 1066462414 /nfs/dbraw/zinc/46/24/14/1066462414.db2.gz UQOWRAFQSORIHX-LJQANCHMSA-N -1 0 452.576 4.646 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NC[C@H](C)c2ccc(C)cc2)c1 ZINC001444461526 1066462708 /nfs/dbraw/zinc/46/27/08/1066462708.db2.gz UQOWRAFQSORIHX-IBGZPJMESA-N -1 0 452.576 4.646 20 0 JJADRM C[C@H]1CC[C@H](C)N(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(Br)s3)cc2)C1 ZINC001444691084 1066493547 /nfs/dbraw/zinc/49/35/47/1066493547.db2.gz WFIRZMFLUWRHOW-STQMWFEESA-N -1 0 457.415 4.572 20 0 JJADRM C[C@@H]1CC[C@H](C)CN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC001444691081 1066493571 /nfs/dbraw/zinc/49/35/71/1066493571.db2.gz WFIRZMFLUWRHOW-QWHCGFSZSA-N -1 0 457.415 4.572 20 0 JJADRM O=C(c1cccc([N-]S(=O)(=O)c2cccs2)c1)N1CC[C@@H](CSc2ccccc2)C1 ZINC001445038748 1066532133 /nfs/dbraw/zinc/53/21/33/1066532133.db2.gz XRIZHHNWLPYNMC-QGZVFWFLSA-N -1 0 458.630 4.803 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N2CC[C@@H](c3ccccc3)[C@@H]2C)c1 ZINC001445294380 1066555544 /nfs/dbraw/zinc/55/55/44/1066555544.db2.gz FUYGGMWMKFQDKB-PGRDOPGGSA-N -1 0 450.560 4.514 20 0 JJADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@H]2C[C@H](c3ccc(F)cc3F)C2)cc1 ZINC001456297354 1066557220 /nfs/dbraw/zinc/55/72/20/1066557220.db2.gz RZVYVSFNAGWHOW-SAABIXHNSA-N -1 0 456.514 4.750 20 0 JJADRM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCSC(C)(C)C2)ccc1Cl ZINC001456325180 1066562728 /nfs/dbraw/zinc/56/27/28/1066562728.db2.gz VSPMOZQKJMVAQT-INIZCTEOSA-N -1 0 453.029 4.853 20 0 JJADRM C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC001445371428 1066564087 /nfs/dbraw/zinc/56/40/87/1066564087.db2.gz ADNWTCHVQGTBCL-NQIIRXRSSA-N -1 0 454.617 4.571 20 0 JJADRM COC1CCC(CNC(=O)c2cc3ccccc3cc2[N-]S(=O)(=O)c2cccs2)CC1 ZINC001445383153 1066565495 /nfs/dbraw/zinc/56/54/95/1066565495.db2.gz KTNCCFFLSZTBLE-UHFFFAOYSA-N -1 0 458.605 4.637 20 0 JJADRM CC1(C)CN(C(=O)c2cc(F)c([O-])c(Cl)c2)[C@@H]1c1nccn1COCC[Si](C)(C)C ZINC001456357716 1066569278 /nfs/dbraw/zinc/56/92/78/1066569278.db2.gz IOGBHEZTMAMCSP-GOSISDBHSA-N -1 0 454.018 4.917 20 0 JJADRM O=C(c1cc(Br)cc(F)c1[O-])N(Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC001445545703 1066586403 /nfs/dbraw/zinc/58/64/03/1066586403.db2.gz VKXSWQFYKFAFLX-QGZVFWFLSA-N -1 0 450.329 4.731 20 0 JJADRM Cc1cc(C(=O)N2C[C@@H]3CCCC[C@]32c2ccccc2)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC001445588117 1066592309 /nfs/dbraw/zinc/59/23/09/1066592309.db2.gz WQEMAYJQSHYLAP-RXVVDRJESA-N -1 0 452.498 4.798 20 0 JJADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCC[C@@H]2Cc2ccc(Br)cc2)n1 ZINC001456529461 1066614248 /nfs/dbraw/zinc/61/42/48/1066614248.db2.gz JZSDLBKDXKWSDQ-GOSISDBHSA-N -1 0 458.331 4.635 20 0 JJADRM C[C@H](CNC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1)c1nc2ccccc2s1 ZINC001445936314 1066637407 /nfs/dbraw/zinc/63/74/07/1066637407.db2.gz CUQSLSKQMMVMQD-CQSZACIVSA-N -1 0 457.602 4.692 20 0 JJADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCc4cc(Br)c(F)cc4C3)n2)cc1 ZINC001456613166 1066643662 /nfs/dbraw/zinc/64/36/62/1066643662.db2.gz ZMHNVSJVMJSRJK-UHFFFAOYSA-N -1 0 458.331 4.801 20 0 JJADRM Cc1cc(C(C)(C)C)cc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CC(=O)CC[C@@H]2C)c1C ZINC001456631558 1066652205 /nfs/dbraw/zinc/65/22/05/1066652205.db2.gz BIFUIWNOMMTTEU-KRWDZBQOSA-N -1 0 456.608 4.595 20 0 JJADRM O=C(NCCCc1cccs1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC001446183139 1066669572 /nfs/dbraw/zinc/66/95/72/1066669572.db2.gz KIQYLYLTHGUMNT-UHFFFAOYSA-N -1 0 452.960 4.704 20 0 JJADRM CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2[O-])C[C@H]1[C@@H]1CCCO1 ZINC001446235271 1066676483 /nfs/dbraw/zinc/67/64/83/1066676483.db2.gz XMRHUJSEFLBREM-ZLIFDBKOSA-N -1 0 459.370 4.832 20 0 JJADRM C[C@H](CC(=O)N[C@H](C)c1ccccc1[N-]S(=O)(=O)c1cccs1)C(=O)c1ccccc1 ZINC001446271473 1066682408 /nfs/dbraw/zinc/68/24/08/1066682408.db2.gz HNEPPYQSBKTCOW-IAGOWNOFSA-N -1 0 456.589 4.635 20 0 JJADRM COc1cccc([C@@H](C)CC(=O)N[C@@H](C)c2ccccc2[N-]S(=O)(=O)c2cccs2)c1 ZINC001446273958 1066682993 /nfs/dbraw/zinc/68/29/93/1066682993.db2.gz MZHUZTRAFPVFNA-IRXDYDNUSA-N -1 0 458.605 4.929 20 0 JJADRM CC(C)[C@H]1C[C@H](CC(=O)N[C@@H](C)c2ccccc2[N-]S(=O)(=O)c2cccs2)CCO1 ZINC001446278466 1066684518 /nfs/dbraw/zinc/68/45/18/1066684518.db2.gz STADGAJBWJIGII-SQGPQFPESA-N -1 0 450.626 4.567 20 0 JJADRM CC(C)Cn1ncc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)c1C(C)C ZINC001446353940 1066695620 /nfs/dbraw/zinc/69/56/20/1066695620.db2.gz UWCDPBMUAFTYCB-UHFFFAOYSA-N -1 0 458.559 4.855 20 0 JJADRM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cnc(-c3c(Cl)cccc3Cl)s2)c1 ZINC001446527158 1066715920 /nfs/dbraw/zinc/71/59/20/1066715920.db2.gz OXHWYNJCMKYFBM-UHFFFAOYSA-N -1 0 457.360 4.868 20 0 JJADRM O=C(c1cccc(C(F)(F)F)c1[O-])N1CCOc2c(Cl)cc(Br)cc2C1 ZINC001456895070 1066716435 /nfs/dbraw/zinc/71/64/35/1066716435.db2.gz KAPUEFVLTHXBNT-UHFFFAOYSA-N -1 0 450.638 4.862 20 0 JJADRM Cc1cccc(NS(=O)(=O)c2ccc(C(=O)N3CCc4c(F)cc(F)cc4C3)cc2)c1C ZINC001446537002 1066717731 /nfs/dbraw/zinc/71/77/31/1066717731.db2.gz MIROTURVSIITEW-UHFFFAOYSA-N -1 0 456.514 4.581 20 0 JJADRM O=C(c1cccc(Br)c1[O-])N(Cc1ccccc1)C[C@]1(O)CCc2ccccc21 ZINC001446542787 1066718902 /nfs/dbraw/zinc/71/89/02/1066718902.db2.gz ZHYNPVMJLZHQSF-XMMPIXPASA-N -1 0 452.348 4.631 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)/C(C)=C/C2CCC(C)CC2)c1 ZINC001446705228 1066732278 /nfs/dbraw/zinc/73/22/78/1066732278.db2.gz BFOQDTIKZUWFEZ-SAPNQHFASA-N -1 0 458.580 4.913 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)c2ccccc2C2CCC2)c1 ZINC001446707246 1066732950 /nfs/dbraw/zinc/73/29/50/1066732950.db2.gz HUZBBWADOGCJSM-UHFFFAOYSA-N -1 0 452.532 4.721 20 0 JJADRM CC(=O)c1ccc(C(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2[O-])cc1C ZINC001446706901 1066733027 /nfs/dbraw/zinc/73/30/27/1066733027.db2.gz GUOOGNJEHLVNIJ-UHFFFAOYSA-N -1 0 458.923 4.610 20 0 JJADRM CC[C@@H]1c2ccccc2CN1C(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1[O-] ZINC001457001353 1066739119 /nfs/dbraw/zinc/73/91/19/1066739119.db2.gz KONFSUXPIHLSHV-OAQYLSRUSA-N -1 0 456.951 4.954 20 0 JJADRM CN(Cc1cc(F)c(F)c(F)c1)C(=O)c1cc(Br)cc(Br)c1[O-] ZINC001446848147 1066747736 /nfs/dbraw/zinc/74/77/36/1066747736.db2.gz YVWGCGNATIDVGT-UHFFFAOYSA-N -1 0 453.052 4.607 20 0 JJADRM CC[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2OC)cc1)c1ccc(C)c(F)c1 ZINC001447028058 1066767986 /nfs/dbraw/zinc/76/79/86/1066767986.db2.gz RNJSXEYUUZJGDY-NRFANRHFSA-N -1 0 456.539 4.825 20 0 JJADRM O=C(Nc1cc(Cl)cc(Br)c1[O-])c1nn(-c2ccccc2F)c2c1CCC2 ZINC001447092622 1066772063 /nfs/dbraw/zinc/77/20/63/1066772063.db2.gz ISGVSLHHMAMEBV-UHFFFAOYSA-N -1 0 450.695 4.874 20 0 JJADRM Cc1nn(-c2ccccc2)c(C)c1[C@@H](CNC(=O)c1cc(F)c(F)c([O-])c1F)C(F)(F)F ZINC001457194960 1066784319 /nfs/dbraw/zinc/78/43/19/1066784319.db2.gz VNRGOLHYYHEKIP-CQSZACIVSA-N -1 0 457.374 4.688 20 0 JJADRM O=C(NC[C@H]1C[C@H]1Cc1ccccc1)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC001457208315 1066790276 /nfs/dbraw/zinc/79/02/76/1066790276.db2.gz LFACVIRXSUADIL-RTBURBONSA-N -1 0 454.979 4.749 20 0 JJADRM COC[C@H]([N-]C(=O)C(F)(F)c1ccc(OC(F)(F)F)c(Br)c1)c1ccco1 ZINC001457210107 1066791220 /nfs/dbraw/zinc/79/12/20/1066791220.db2.gz UJQQIFUHOKPJBR-NSHDSACASA-N -1 0 458.177 4.536 20 0 JJADRM CCc1ccc2c(c1)CCN(C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1)C2 ZINC001457316850 1066809207 /nfs/dbraw/zinc/80/92/07/1066809207.db2.gz AJDZMVFGCLSFIA-UHFFFAOYSA-N -1 0 454.979 4.902 20 0 JJADRM CCCN(CC(=O)OC(C)(C)C)C(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC001447488048 1066814508 /nfs/dbraw/zinc/81/45/08/1066814508.db2.gz OTFIAXBTQWFCKN-UHFFFAOYSA-N -1 0 452.960 4.553 20 0 JJADRM Cn1nc(C2CCCC2)cc1NC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC001447532886 1066819065 /nfs/dbraw/zinc/81/90/65/1066819065.db2.gz NPMSFBHQKOVBRV-UHFFFAOYSA-N -1 0 458.971 4.784 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)ccc1C ZINC001457478640 1066840162 /nfs/dbraw/zinc/84/01/62/1066840162.db2.gz JNAZNLPOHAEASI-SFHLNBCPSA-N -1 0 456.608 4.893 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)ccc1C ZINC001457478638 1066840225 /nfs/dbraw/zinc/84/02/25/1066840225.db2.gz JNAZNLPOHAEASI-IRFCIJBXSA-N -1 0 456.608 4.893 20 0 JJADRM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N(C)C/C(C)=C\c2ccccc2)cc1 ZINC001447719965 1066847057 /nfs/dbraw/zinc/84/70/57/1066847057.db2.gz BGNQFAOFICRQHS-ZPHPHTNESA-N -1 0 450.560 4.672 20 0 JJADRM COc1cccc(S([O-])=CC(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c1 ZINC001447754494 1066853540 /nfs/dbraw/zinc/85/35/40/1066853540.db2.gz WQYPHOHHXUIDNB-BEIWTESXSA-N -1 0 453.404 4.632 20 0 JJADRM C[C@H]1CCCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(Br)s3)cc2)C1 ZINC001447843952 1066868422 /nfs/dbraw/zinc/86/84/22/1066868422.db2.gz DTNRUIWKKLZQFJ-ZDUSSCGKSA-N -1 0 457.415 4.574 20 0 JJADRM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(F)nc3)ccc2Cl)cc1Cl ZINC001457690336 1066898417 /nfs/dbraw/zinc/89/84/17/1066898417.db2.gz JLYBYNUWPDKKRI-UHFFFAOYSA-N -1 0 454.310 4.889 20 0 JJADRM Cn1cccc1[C@@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC001457706593 1066900734 /nfs/dbraw/zinc/90/07/34/1066900734.db2.gz YDRIMLOVFJKXRO-QFIPXVFZSA-N -1 0 457.983 4.847 20 0 JJADRM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)Nc1nc(-c2ccccc2)c[nH]1 ZINC001457729957 1066905788 /nfs/dbraw/zinc/90/57/88/1066905788.db2.gz NLWZEESRCFSXRF-UHFFFAOYSA-N -1 0 450.495 4.577 20 0 JJADRM Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC001457735484 1066907101 /nfs/dbraw/zinc/90/71/01/1066907101.db2.gz RMJHZDKFGLXABJ-UHFFFAOYSA-N -1 0 452.711 4.931 20 0 JJADRM O=C(Nc1cc(Br)cc(Cl)c1[O-])c1nn(-c2cccc(F)c2)c2c1CCC2 ZINC001457735486 1066907192 /nfs/dbraw/zinc/90/71/92/1066907192.db2.gz RODPEUJKFMCUPS-UHFFFAOYSA-N -1 0 450.695 4.874 20 0 JJADRM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc(C(F)(F)F)ccn1 ZINC001457743104 1066909099 /nfs/dbraw/zinc/90/90/99/1066909099.db2.gz IGMDMHQFLBBNST-UHFFFAOYSA-N -1 0 453.417 4.601 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](C(C)C)C2)ccc1Cl ZINC001457752787 1066911549 /nfs/dbraw/zinc/91/15/49/1066911549.db2.gz QIMXRFLTDBJALC-KRWDZBQOSA-N -1 0 450.988 4.658 20 0 JJADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2nc(Cl)ccc2O)c1C ZINC001457758567 1066913253 /nfs/dbraw/zinc/91/32/53/1066913253.db2.gz FBCNSUZTTGAYQY-UHFFFAOYSA-N -1 0 459.955 4.727 20 0 JJADRM Cc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)Nc2cc(-c3ncc[nH]3)ccc2C)cc1 ZINC001457781792 1066918820 /nfs/dbraw/zinc/91/88/20/1066918820.db2.gz LPTIZPJMKRRRES-UHFFFAOYSA-N -1 0 452.561 4.808 20 0 JJADRM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1occc1COc1ccccc1 ZINC001457785388 1066919446 /nfs/dbraw/zinc/91/94/46/1066919446.db2.gz IKFXFCFZQDBMSP-QHCPKHFHSA-N -1 0 459.546 4.712 20 0 JJADRM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)C1(c2c(F)cccc2F)CCC1 ZINC001457786448 1066919908 /nfs/dbraw/zinc/91/99/08/1066919908.db2.gz GIGNGGKXXWXNQD-IBGZPJMESA-N -1 0 453.533 4.626 20 0 JJADRM CO[C@@](C)(CNC(=O)c1nn(-c2c(Cl)cc(Cl)cc2Cl)cc1[O-])c1ccccc1 ZINC001457816110 1066927219 /nfs/dbraw/zinc/92/72/19/1066927219.db2.gz BWPCYARDXWDDCP-FQEVSTJZSA-N -1 0 454.741 4.830 20 0 JJADRM O=C(c1ccc2c(=O)[nH]c(=S)[n-]c2c1)N1CCCC[C@@H]1Cc1ccccc1Br ZINC001457842544 1066931563 /nfs/dbraw/zinc/93/15/63/1066931563.db2.gz XQUORZIINGLZOZ-OAHLLOKOSA-N -1 0 458.381 4.624 20 0 JJADRM COc1ccccc1CO[N-]C(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC001448591231 1066940621 /nfs/dbraw/zinc/94/06/21/1066940621.db2.gz NIISTWMRDGFGIV-GOSISDBHSA-N -1 0 454.445 4.528 20 0 JJADRM O=C(Nc1cc2c([nH]c1=O)CCCC2)c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1[O-] ZINC001457925335 1066942251 /nfs/dbraw/zinc/94/22/51/1066942251.db2.gz FJTQWIANFNIOMU-UHFFFAOYSA-N -1 0 453.713 4.770 20 0 JJADRM Cc1cc2c(cc1C)[C@H](C(=O)Nc1cc(S(=O)(=O)[N-]c3ccccc3)c(F)cc1C)CO2 ZINC001448617161 1066942307 /nfs/dbraw/zinc/94/23/07/1066942307.db2.gz BNWOHICADYEQTC-LJQANCHMSA-N -1 0 454.523 4.666 20 0 JJADRM COCCCn1c(=O)c2ccc(C(=O)N3C[C@@H](C(C)(C)C)c4ccccc43)cc2[n-]c1=S ZINC001448665796 1066947132 /nfs/dbraw/zinc/94/71/32/1066947132.db2.gz BOTWNDQGAFDZKX-LJQANCHMSA-N -1 0 451.592 4.512 20 0 JJADRM CS(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)Nc1cc(F)c(Br)cc1F ZINC001457985067 1066952367 /nfs/dbraw/zinc/95/23/67/1066952367.db2.gz XFZNRPGTJBUALY-UHFFFAOYSA-N -1 0 455.280 4.504 20 0 JJADRM O=C(c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1[O-])N1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC001458030887 1066958483 /nfs/dbraw/zinc/95/84/83/1066958483.db2.gz DDBQVLRTNNPNBU-QWHCGFSZSA-N -1 0 458.773 4.817 20 0 JJADRM CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC001448846237 1066963403 /nfs/dbraw/zinc/96/34/03/1066963403.db2.gz JSPLIHWDKGNDBO-UHFFFAOYSA-N -1 0 452.473 4.968 20 0 JJADRM C[C@@H](O)c1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2)ccc1F ZINC001449158103 1066985955 /nfs/dbraw/zinc/98/59/55/1066985955.db2.gz GWFLYHIMTYLHMM-LLVKDONJSA-N -1 0 454.932 4.647 20 0 JJADRM Cc1ccc(-c2csc3ncn(CCC(=O)Nc4cc(Cl)c([O-])cc4F)c(=O)c23)cc1 ZINC001449204187 1066989333 /nfs/dbraw/zinc/98/93/33/1066989333.db2.gz NMTQYUBOYUBYAP-UHFFFAOYSA-N -1 0 457.914 4.960 20 0 JJADRM CC[C@@H]1CC[C@H](C)N(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(Br)s3)cc2)C1 ZINC001449471753 1067010959 /nfs/dbraw/zinc/01/09/59/1067010959.db2.gz FHJXMJMSERWMQI-UONOGXRCSA-N -1 0 471.442 4.962 20 0 JJADRM CSC[C@@H]1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3C)c2)C1 ZINC001450157670 1067055401 /nfs/dbraw/zinc/05/54/01/1067055401.db2.gz MQIPTIXGMXGWRS-MRXNPFEDSA-N -1 0 453.029 4.664 20 0 JJADRM O=C([N-]CCOc1ccc(Br)cc1C(F)(F)F)C(F)(F)c1ccc(F)cc1 ZINC001458470031 1067070503 /nfs/dbraw/zinc/07/05/03/1067070503.db2.gz LYXVBMZLJIJZOL-UHFFFAOYSA-N -1 0 456.180 4.894 20 0 JJADRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)NC2CC(C(C)(C)C)C2)c1 ZINC001450355581 1067073103 /nfs/dbraw/zinc/07/31/03/1067073103.db2.gz OXLBUMXBUOQIJT-UHFFFAOYSA-N -1 0 450.988 4.704 20 0 JJADRM CCC(CC)(CNC(=O)c1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1)OC ZINC001450509301 1067085698 /nfs/dbraw/zinc/08/56/98/1067085698.db2.gz FVQVNBPWNFOFRE-UHFFFAOYSA-N -1 0 459.395 4.729 20 0 JJADRM COc1ccccc1[C@@H](NC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-])c1ccco1 ZINC001450708243 1067108971 /nfs/dbraw/zinc/10/89/71/1067108971.db2.gz PFZHKIXQSYTOGP-HXUWFJFHSA-N -1 0 457.408 4.718 20 0 JJADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(O)c(COC(C)C)c2)cc1 ZINC001450736222 1067113606 /nfs/dbraw/zinc/11/36/06/1067113606.db2.gz BMKZROMQBPNKJH-UHFFFAOYSA-N -1 0 454.548 4.679 20 0 JJADRM Cc1ccc2c(c1)SCCCN2C(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC001450798590 1067122543 /nfs/dbraw/zinc/12/25/43/1067122543.db2.gz GNUNYKHPVVSLMB-UHFFFAOYSA-N -1 0 458.630 4.929 20 0 JJADRM Cc1ccc(C(=O)Nc2ccc(F)c(F)c2[O-])cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC001450999480 1067139208 /nfs/dbraw/zinc/13/92/08/1067139208.db2.gz KJZVQFKQUBHFBB-UHFFFAOYSA-N -1 0 452.866 4.685 20 0 JJADRM CCO[C@H]1C[C@@H](NC(=O)c2ccccc2[N-]S(=O)(=O)c2cc(C(C)(C)C)cc(C)c2C)C1 ZINC001451094196 1067146256 /nfs/dbraw/zinc/14/62/56/1067146256.db2.gz ZWLJXNIIFFZUMZ-BGYRXZFFSA-N -1 0 458.624 4.699 20 0 JJADRM CCC1(c2ccccc2)CN(C(=O)c2cc(Cl)ccc2[N-]S(=O)(=O)c2ccccc2)C1 ZINC001451137701 1067149238 /nfs/dbraw/zinc/14/92/38/1067149238.db2.gz BQCCWVHATJLGLB-UHFFFAOYSA-N -1 0 454.979 4.945 20 0 JJADRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@H](C)CCCc2cccnc2)c1 ZINC001451147394 1067149916 /nfs/dbraw/zinc/14/99/16/1067149916.db2.gz HWBPINIFOJSPEJ-HXUWFJFHSA-N -1 0 451.592 4.640 20 0 JJADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2cnccc2C(C)(C)C)ccc1F ZINC001451412252 1067168532 /nfs/dbraw/zinc/16/85/32/1067168532.db2.gz RFTPUYZYQSOHHV-UHFFFAOYSA-N -1 0 455.555 4.557 20 0 JJADRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC001545824455 1067168545 /nfs/dbraw/zinc/16/85/45/1067168545.db2.gz YUXOXBIJQTXJFR-HNNXBMFYSA-N -1 0 458.139 4.705 20 0 JJADRM Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC001545824054 1067168590 /nfs/dbraw/zinc/16/85/90/1067168590.db2.gz JTKJBJMYWSGNEE-ZDUSSCGKSA-N -1 0 457.379 4.823 20 0 JJADRM CC(C)(C)OC(=O)Nc1ccoc1C(=O)[N-]c1nnc(COc2ccc(Cl)cc2)s1 ZINC001451525867 1067176633 /nfs/dbraw/zinc/17/66/33/1067176633.db2.gz GGFLBWRQOIIHEM-UHFFFAOYSA-N -1 0 450.904 4.963 20 0 JJADRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)Nc3cc(C)cc(CNC(=O)OC(C)(C)C)c3)n2)c1 ZINC001451948316 1067200533 /nfs/dbraw/zinc/20/05/33/1067200533.db2.gz ZKZCIZGXEGCUCY-UHFFFAOYSA-N -1 0 454.502 4.611 20 0 JJADRM O=C(Nc1ccc2nc(C(F)(F)F)oc2c1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC001452247257 1067216248 /nfs/dbraw/zinc/21/62/48/1067216248.db2.gz NYXAMVBRHLLAQT-UHFFFAOYSA-N -1 0 452.186 4.703 20 0 JJADRM CCCO[N-]C(=O)[C@H](CCc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001452280572 1067218245 /nfs/dbraw/zinc/21/82/45/1067218245.db2.gz GTGUSUOGLIEEDP-SANMLTNESA-N -1 0 458.558 4.984 20 0 JJADRM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC001452519319 1067230478 /nfs/dbraw/zinc/23/04/78/1067230478.db2.gz FAZXGTUYISOGDX-ZANVPECISA-N -1 0 466.312 4.789 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)c1 ZINC001546105717 1067233248 /nfs/dbraw/zinc/23/32/48/1067233248.db2.gz TVIQDKOMTTUMSF-YTQUADARSA-N -1 0 458.580 4.747 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)[C@H](c2ccccc2)C(C)C)c1 ZINC001546105748 1067233869 /nfs/dbraw/zinc/23/38/69/1067233869.db2.gz UZVBHQRWQZLLPG-QHCPKHFHSA-N -1 0 454.548 4.580 20 0 JJADRM CC(C)C(=O)c1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC001452593674 1067235553 /nfs/dbraw/zinc/23/55/53/1067235553.db2.gz BHQHNWSCZDPXFV-UHFFFAOYSA-N -1 0 458.486 4.857 20 0 JJADRM CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2C)c1)[C@H]1CCCCO1 ZINC001452630026 1067238806 /nfs/dbraw/zinc/23/88/06/1067238806.db2.gz GFNDJWLCZXWXGG-UYAOXDASSA-N -1 0 450.988 4.527 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NC2(c3ccccc3C)CCC2)cc1 ZINC001452769709 1067250594 /nfs/dbraw/zinc/25/05/94/1067250594.db2.gz XQCHSYFOLDNOOL-UHFFFAOYSA-N -1 0 450.560 4.614 20 0 JJADRM O=C(Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1)Nc1csc(-c2ccccc2)n1 ZINC001452841819 1067257087 /nfs/dbraw/zinc/25/70/87/1067257087.db2.gz LUTAWWYLBYTTDQ-UHFFFAOYSA-N -1 0 455.586 4.854 20 0 JJADRM C[C@H](NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC001452958217 1067267678 /nfs/dbraw/zinc/26/76/78/1067267678.db2.gz MQWMPOWKSVSJLQ-IRXDYDNUSA-N -1 0 459.571 4.853 20 0 JJADRM O=C([N-][C@H]1CN(C(=O)c2cc3sccc3s2)CC[C@H]1c1ccc(F)cc1)C(F)(F)F ZINC001453131773 1067282567 /nfs/dbraw/zinc/28/25/67/1067282567.db2.gz RSDFMSSUUNCGQM-KBPBESRZSA-N -1 0 456.486 4.779 20 0 JJADRM C[C@@H](C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H]([N-]C(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 ZINC001453131755 1067282691 /nfs/dbraw/zinc/28/26/91/1067282691.db2.gz RJOVBUYDCHTINJ-VMDGZTHMSA-N -1 0 456.867 4.646 20 0 JJADRM O=C([N-][C@@H]1CN(C(=O)c2csc(NC3CCCCC3)n2)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001453678112 1067321288 /nfs/dbraw/zinc/32/12/88/1067321288.db2.gz FEBODJLLJWFZBQ-QZTJIDSGSA-N -1 0 480.556 4.565 20 0 JJADRM O=C(c1nn(-c2ccc(Cl)cc2C(F)(F)F)cc1[O-])N1CC[C@@H](Oc2ccccc2)C1 ZINC001453712641 1067324514 /nfs/dbraw/zinc/32/45/14/1067324514.db2.gz NUXJMXSNROUPMJ-OAHLLOKOSA-N -1 0 451.832 4.544 20 0 JJADRM COc1ccc2nc(Cl)c(C(=O)Nc3cc(C)cc(C[N-]C(=O)C(F)(F)F)c3)cc2c1 ZINC001460043885 1067537558 /nfs/dbraw/zinc/53/75/58/1067537558.db2.gz ZXNJKQHQOSWVLR-UHFFFAOYSA-N -1 0 451.832 4.636 20 0 JJADRM COc1ccc(Br)cc1C1(NCc2cc(=O)oc3cc([O-])c(Cl)cc23)CC1 ZINC001460278843 1067596500 /nfs/dbraw/zinc/59/65/00/1067596500.db2.gz PBOYWIASSIYNCX-UHFFFAOYSA-N -1 0 450.716 4.702 20 0 JJADRM C[C@H](Cc1cccc(Cl)c1)C(=O)N1CC[C@@H](c2cccc(F)c2)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001461414403 1067849886 /nfs/dbraw/zinc/84/98/86/1067849886.db2.gz AGAJMFWVVYFQCW-UAOJZALGSA-N -1 0 470.894 4.721 20 0 JJADRM CSc1ccc(/C=C\C(=O)N2CC[C@@H](c3cccc(F)c3)[C@@H]([N-]C(=O)C(F)(F)F)C2)s1 ZINC001461421331 1067852868 /nfs/dbraw/zinc/85/28/68/1067852868.db2.gz VWKKMHRSQKGNLU-GECAAYIISA-N -1 0 472.529 4.686 20 0 JJADRM O=C([N-][C@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2ccc(Oc3ccccc3)cc2)C1)C(F)(F)F ZINC001461577235 1067892666 /nfs/dbraw/zinc/89/26/66/1067892666.db2.gz QDGAFZOTMMHPJR-YOEHRIQHSA-N -1 0 460.374 4.693 20 0 JJADRM Cc1cc(Br)ccc1[C@H]1CCCN1C(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC001462106227 1068004036 /nfs/dbraw/zinc/00/40/36/1068004036.db2.gz UHLMWZILWWQWII-OAHLLOKOSA-N -1 0 459.262 4.506 20 0 JJADRM [O-]c1cc(Br)cnc1CN1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC001462216891 1068030833 /nfs/dbraw/zinc/03/08/33/1068030833.db2.gz UQPZDYJPLNEXLM-UHFFFAOYSA-N -1 0 450.686 4.544 20 0 JJADRM O=S(=O)([N-]C1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cnc(-c2ccccc2)s1 ZINC001462803947 1068171757 /nfs/dbraw/zinc/17/17/57/1068171757.db2.gz GDSIUTBLLYTPLD-VXGBXAGGSA-N -1 0 458.449 4.998 20 0 JJADRM CCC(CC)(CNS(=O)(=O)c1c([O-])cccc1OC(F)(F)F)c1ccc(Cl)cc1 ZINC001462976717 1068235829 /nfs/dbraw/zinc/23/58/29/1068235829.db2.gz BEWCSOCGJZLYIL-UHFFFAOYSA-N -1 0 451.894 4.981 20 0 JJADRM O=S(=O)(NC1(c2cccc(C(F)(F)F)c2)CCC1)c1c([O-])cccc1OC(F)(F)F ZINC001463192542 1068316191 /nfs/dbraw/zinc/31/61/91/1068316191.db2.gz HXJFPYUKLVXLTG-UHFFFAOYSA-N -1 0 455.376 4.667 20 0 JJADRM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1noc(-c2ccc(Cl)cc2)n1 ZINC001463285593 1068344080 /nfs/dbraw/zinc/34/40/80/1068344080.db2.gz YGDFYPJGFZOQBL-MRVPVSSYSA-N -1 0 450.706 4.875 20 0 JJADRM Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NS(=O)(=O)c1ccccc1[O-] ZINC001463294693 1068347900 /nfs/dbraw/zinc/34/79/00/1068347900.db2.gz PIUQTQGJMQJIKZ-GFCCVEGCSA-N -1 0 453.383 4.626 20 0 JJADRM CC1(C)CO[C@@H](CC(=O)Nc2ccc([N-]S(=O)(=O)c3c(Cl)cccc3Cl)cc2)C1 ZINC001463558620 1068441902 /nfs/dbraw/zinc/44/19/02/1068441902.db2.gz BDQPPLMNJBQJGM-HNNXBMFYSA-N -1 0 457.379 4.938 20 0 JJADRM O=C(NCCc1ccccc1F)c1cc2ccccc2cc1[N-]S(=O)(=O)c1cccs1 ZINC001463589069 1068458090 /nfs/dbraw/zinc/45/80/90/1068458090.db2.gz KVROYJUEVMBKCI-UHFFFAOYSA-N -1 0 454.548 4.814 20 0 JJADRM O=S(=O)([N-][C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)c1cscc1Br ZINC001463612541 1068466199 /nfs/dbraw/zinc/46/61/99/1068466199.db2.gz PQSMMUWKWZKOCK-NSHDSACASA-N -1 0 452.676 4.885 20 0 JJADRM O=S(=O)([N-][C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)c1cscc1Br ZINC001463612537 1068466283 /nfs/dbraw/zinc/46/62/83/1068466283.db2.gz PQSMMUWKWZKOCK-LLVKDONJSA-N -1 0 452.676 4.885 20 0 JJADRM COc1ccc(NC(=O)CC2(CSC)CC2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC001463700144 1068498608 /nfs/dbraw/zinc/49/86/08/1068498608.db2.gz PSQZZZXIYONKIT-UHFFFAOYSA-N -1 0 455.001 4.621 20 0 JJADRM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H]3CC[C@@H]4C[C@@H]4CC3)ccc2OC)cc1 ZINC001463699576 1068498637 /nfs/dbraw/zinc/49/86/37/1068498637.db2.gz MRGHCLSNGHSBFV-NNZMDNLPSA-N -1 0 458.580 4.660 20 0 JJADRM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H]3C[C@H]3c3cccc(C)c3)ccc2OC)cc1 ZINC001463699586 1068498712 /nfs/dbraw/zinc/49/87/12/1068498712.db2.gz NBVPEKPFNCEJNT-XZOQPEGZSA-N -1 0 480.586 4.945 20 0 JJADRM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H](C)c3cccc(C)c3)ccc2OC)cc1 ZINC001463700792 1068499007 /nfs/dbraw/zinc/49/90/07/1068499007.db2.gz VGWCGAVEXAHMQU-KRWDZBQOSA-N -1 0 454.548 4.555 20 0 JJADRM Cc1ccc(CCCNC(=O)c2ccccc2[N-]S(=O)(=O)c2cc(F)ccc2F)c(C)c1 ZINC001463745729 1068510468 /nfs/dbraw/zinc/51/04/68/1068510468.db2.gz KIBAYITYPRFGRF-UHFFFAOYSA-N -1 0 458.530 4.745 20 0 JJADRM CCOc1ccc([C@H]2CCCN2C(=O)c2ccc([N-]S(=O)(=O)C(F)(F)F)c(C)c2)cc1 ZINC001463806830 1068531876 /nfs/dbraw/zinc/53/18/76/1068531876.db2.gz GADNQDPEDKWYCN-LJQANCHMSA-N -1 0 456.486 4.633 20 0 JJADRM C[C@@H](NC(=O)c1ccccc1[N-]S(=O)(=O)C(F)(F)F)c1cc(F)c(Cl)cc1Cl ZINC001463826304 1068538116 /nfs/dbraw/zinc/53/81/16/1068538116.db2.gz CMJPXLJUOMEZPM-MRVPVSSYSA-N -1 0 459.248 4.885 20 0 JJADRM CC[C@@H](NC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccco1)c2=O)c1ccc(Cl)cc1 ZINC001463879058 1068553989 /nfs/dbraw/zinc/55/39/89/1068553989.db2.gz VLAUFDOQROOZNA-LJQANCHMSA-N -1 0 453.951 4.861 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N[C@@H](c2ccc(C)cc2)C2CC2)c1 ZINC001463885521 1068555628 /nfs/dbraw/zinc/55/56/28/1068555628.db2.gz JDWUMUZLSBMCLQ-DEOSSOPVSA-N -1 0 450.560 4.686 20 0 JJADRM Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2nn(-c3ccc(F)cc3C)cc2[O-])cc1 ZINC001463915488 1068564123 /nfs/dbraw/zinc/56/41/23/1068564123.db2.gz QVDOQXXZZIAOKA-UHFFFAOYSA-N -1 0 458.493 4.516 20 0 JJADRM CC[C@H](C)c1ccc([C@@H](NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2[O-])C(C)C)cc1 ZINC001463963168 1068576347 /nfs/dbraw/zinc/57/63/47/1068576347.db2.gz RESJUJKIZMSIHB-UUOWRZLLSA-N -1 0 458.624 4.817 20 0 JJADRM O=C(Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1F)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001464086216 1068609619 /nfs/dbraw/zinc/60/96/19/1068609619.db2.gz CQHURVMXRNRWTA-KWCYVHTRSA-N -1 0 458.889 4.900 20 0 JJADRM O=C(CCCC1CCOCC1)Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1F ZINC001464089577 1068610856 /nfs/dbraw/zinc/61/08/56/1068610856.db2.gz UDKVIRCDGSNTDH-UHFFFAOYSA-N -1 0 454.951 4.815 20 0 JJADRM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4[nH]c(C)cc4c3)ccc2F)cc1 ZINC001464126238 1068624345 /nfs/dbraw/zinc/62/43/45/1068624345.db2.gz YFXWPBFDZYGBEW-UHFFFAOYSA-N -1 0 453.495 4.677 20 0 JJADRM COc1ccc([C@@H](C)NC(=O)c2nn(-c3ccc(C(C)C)cc3)cc2[O-])cc1Br ZINC001464126540 1068624880 /nfs/dbraw/zinc/62/48/80/1068624880.db2.gz CTWOAIZMHPGSAF-CQSZACIVSA-N -1 0 458.356 4.963 20 0 JJADRM Cc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)NCCOc2ccc(C(C)C)cc2)cc1 ZINC001464190647 1068649690 /nfs/dbraw/zinc/64/96/90/1068649690.db2.gz CCFQCYWDHMEURN-UHFFFAOYSA-N -1 0 458.605 4.790 20 0 JJADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)n1 ZINC001464193283 1068650958 /nfs/dbraw/zinc/65/09/58/1068650958.db2.gz OKTXPDBHIIFGMK-QGZVFWFLSA-N -1 0 458.493 4.769 20 0 JJADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)n1 ZINC001464193281 1068651063 /nfs/dbraw/zinc/65/10/63/1068651063.db2.gz OKTXPDBHIIFGMK-KRWDZBQOSA-N -1 0 458.493 4.769 20 0 JJADRM CCCOc1ccc([C@H](C)NC(=O)c2cnc3ccc(Br)cc3c2O)cc1OC ZINC001464207933 1068658059 /nfs/dbraw/zinc/65/80/59/1068658059.db2.gz BFKDSQWGMVTUBF-ZDUSSCGKSA-N -1 0 459.340 4.579 20 0 JJADRM O=C(Nc1ccc(F)c([N-]S(=O)(=O)c2cccs2)c1)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC001464227611 1068665852 /nfs/dbraw/zinc/66/58/52/1068665852.db2.gz PJNZPLISTFXGLQ-CHWSQXEVSA-N -1 0 452.479 4.708 20 0 JJADRM O=C(Nc1ccc(F)c([N-]S(=O)(=O)c2cccs2)c1)c1oc(C2CC2)nc1C(F)F ZINC001464232852 1068667703 /nfs/dbraw/zinc/66/77/03/1068667703.db2.gz ZBGLTAFZZYLPFG-UHFFFAOYSA-N -1 0 457.455 4.743 20 0 JJADRM CC(C)(C)[C@H]1CCc2nc(NC(=O)c3cccc(I)c3[O-])sc2C1 ZINC001546145356 1068669126 /nfs/dbraw/zinc/66/91/26/1068669126.db2.gz JAQFGCBWZQNFKL-JTQLQIEISA-N -1 0 456.349 4.857 20 0 JJADRM CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1[O-])c1ccccc1OCC(=O)N1CCCC1 ZINC001464290381 1068693376 /nfs/dbraw/zinc/69/33/76/1068693376.db2.gz FCXGEWPMMUDTHL-SFHVURJKSA-N -1 0 451.350 4.581 20 0 JJADRM Cc1cccc(OC[C@@H](C)NC(=O)c2cc(Cl)ccc2[N-]S(=O)(=O)c2ccccc2)c1 ZINC001464370053 1068721201 /nfs/dbraw/zinc/72/12/01/1068721201.db2.gz DWDKUTFGFQWXKT-QGZVFWFLSA-N -1 0 458.967 4.647 20 0 JJADRM C[C@H]1CN(C(=O)c2cc(Br)c([O-])c(Br)c2)C[C@@H](c2ccccc2)O1 ZINC001464423276 1068740491 /nfs/dbraw/zinc/74/04/91/1068740491.db2.gz OBYFFMBVOLIABU-ZBEGNZNMSA-N -1 0 455.146 4.519 20 0 JJADRM Cc1[nH]c2ccc(CNC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc(F)cc3)cc2c1C ZINC001464521305 1068771711 /nfs/dbraw/zinc/77/17/11/1068771711.db2.gz UPBXQIFBLZLXQA-UHFFFAOYSA-N -1 0 451.523 4.655 20 0 JJADRM O=C(Nc1ncn(Cc2cccc(Br)c2)n1)c1cc(Cl)c2ccccc2c1[O-] ZINC001464538523 1068776188 /nfs/dbraw/zinc/77/61/88/1068776188.db2.gz CTVKLISSRJAKHQ-UHFFFAOYSA-N -1 0 457.715 4.853 20 0 JJADRM CCOc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1OC ZINC001464641360 1068808729 /nfs/dbraw/zinc/80/87/29/1068808729.db2.gz OUOIBAXAKZIIHK-UHFFFAOYSA-N -1 0 458.511 4.595 20 0 JJADRM C[C@@H](CNC(=O)c1ccccc1[N-]S(=O)(=O)C(F)(F)F)c1c(Cl)cccc1Cl ZINC001464653886 1068812700 /nfs/dbraw/zinc/81/27/00/1068812700.db2.gz IRJIRCKGPMJPSS-JTQLQIEISA-N -1 0 455.285 4.788 20 0 JJADRM COc1ccc(C[C@@H](C)N(C)C(=O)c2cc(Br)c([O-])c(Br)c2)cc1 ZINC001464704683 1068830986 /nfs/dbraw/zinc/83/09/86/1068830986.db2.gz APCCMEVZMCEUPB-LLVKDONJSA-N -1 0 457.162 4.629 20 0 JJADRM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(Cl)cc1C(F)(F)F ZINC000003446170 194326951 /nfs/dbraw/zinc/32/69/51/194326951.db2.gz RAPHNNWAFPYNSF-UHFFFAOYSA-N -1 0 490.912 4.960 20 0 JJADRM C[C@@H](NC(=O)c1ocnc1-c1ccccc1)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC001545850403 1064261203 /nfs/dbraw/zinc/26/12/03/1064261203.db2.gz GZNXKEWSBGZBNG-OAHLLOKOSA-N -1 0 453.545 4.695 20 0 JJADRM C[C@H](NC(=O)c1ccc2c(c1)C(C)(C)CO2)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC001545853007 1064262852 /nfs/dbraw/zinc/26/28/52/1064262852.db2.gz DLWXXIRKQNHXSA-HNNXBMFYSA-N -1 0 456.589 4.710 20 0 JJADRM Cc1cc(C(=O)N[C@H](C)c2ccccc2[N-]S(=O)(=O)c2cccs2)c(C)n1CC1CC1 ZINC001545854052 1064263632 /nfs/dbraw/zinc/26/36/32/1064263632.db2.gz ZPYXFARVYZSGHK-MRXNPFEDSA-N -1 0 457.621 4.868 20 0 JJADRM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC001435648862 1064906329 /nfs/dbraw/zinc/90/63/29/1064906329.db2.gz FEQWCWLMBPSGSQ-QHCPKHFHSA-N -1 0 455.345 4.807 20 0 JJADRM Cc1ccc(-c2nc(CC(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)cs2)cc1 ZINC000019678031 1065111384 /nfs/dbraw/zinc/11/13/84/1065111384.db2.gz SVYBCDYVOVUODL-UHFFFAOYSA-N -1 0 470.601 4.557 20 0 JJADRM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)COc2ccccc2Cc2ccccc2)c1 ZINC001436240899 1065272572 /nfs/dbraw/zinc/27/25/72/1065272572.db2.gz HMWCHCSMKRGDMH-UHFFFAOYSA-N -1 0 456.464 4.782 20 0 JJADRM O=C(NCC1(c2cccc(Br)c2)CCCC1)c1ncc(Br)cc1[O-] ZINC001545904977 1065510798 /nfs/dbraw/zinc/51/07/98/1065510798.db2.gz LNEKTGZWMWAIJT-UHFFFAOYSA-N -1 0 454.162 4.554 20 0 JJADRM Cc1oc(C(C)(C)C)cc1C(=O)N1CC[C@@H](c2cccc(F)c2)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001437476683 1065559145 /nfs/dbraw/zinc/55/91/45/1065559145.db2.gz QBUREWHDFKFUCZ-WMZOPIPTSA-N -1 0 454.464 4.701 20 0 JJADRM Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)N1C[C@@H]([N-]C(=O)C(F)(F)F)CC[C@H]1C(F)(F)F ZINC001437700045 1065593347 /nfs/dbraw/zinc/59/33/47/1065593347.db2.gz CYAVXIGEAYJOQF-YXWQFLTLSA-N -1 0 450.423 4.576 20 0 JJADRM O=C([N-][C@H]1CC[C@@H](C(F)(F)F)N(C(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)C1)C(F)(F)F ZINC001437706742 1065593886 /nfs/dbraw/zinc/59/38/86/1065593886.db2.gz UHBPBHOSKCAEIX-MHORFTMASA-N -1 0 458.402 4.544 20 0 JJADRM Cc1noc(C)c1[C@H](C)[N-]C(=O)C(F)(F)c1ccc(OC(F)(F)F)c(Br)c1 ZINC001360629995 1065677358 /nfs/dbraw/zinc/67/73/58/1065677358.db2.gz UYKJHROVXMIIFS-ZETCQYMHSA-N -1 0 457.193 4.922 20 0 JJADRM O=C(Nc1cc(Cl)ccc1NC(=O)c1nn(-c2ccc(F)cc2F)cc1[O-])c1ccco1 ZINC001440328040 1065930115 /nfs/dbraw/zinc/93/01/15/1065930115.db2.gz MITXRZUOJSQTAI-UHFFFAOYSA-N -1 0 458.808 4.607 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCCc2ccc(C(C)C)cc2)cc1 ZINC001440365218 1065932363 /nfs/dbraw/zinc/93/23/63/1065932363.db2.gz ABYCVUPNGRHXOE-UHFFFAOYSA-N -1 0 452.576 4.592 20 0 JJADRM O=C(C[C@@H]1CCCC[C@H]1O)Nc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC001440384830 1065936379 /nfs/dbraw/zinc/93/63/79/1065936379.db2.gz WNJGRHRYAXHJEK-SCLBCKFNSA-N -1 0 457.379 4.674 20 0 JJADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)c1 ZINC001440408563 1065938822 /nfs/dbraw/zinc/93/88/22/1065938822.db2.gz HBNZCVHZFHOTMB-UHFFFAOYSA-N -1 0 458.484 4.683 20 0 JJADRM O=C(NCCc1c[nH]c2ccccc12)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1 ZINC001440480936 1065942951 /nfs/dbraw/zinc/94/29/51/1065942951.db2.gz SHZNHKRAZKXIMS-UHFFFAOYSA-N -1 0 453.951 4.595 20 0 JJADRM COc1ccc(NC(=O)c2ccc(C(C)C)cn2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC001440595095 1065952927 /nfs/dbraw/zinc/95/29/27/1065952927.db2.gz KFYKNDSQGIZNKX-UHFFFAOYSA-N -1 0 459.955 4.920 20 0 JJADRM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N(C)Cc2ccc(C(C)C)cc2)cc1 ZINC001441015892 1066000853 /nfs/dbraw/zinc/00/08/53/1066000853.db2.gz COHXBCRMMISDHW-UHFFFAOYSA-N -1 0 452.576 4.892 20 0 JJADRM CCN(Cc1cccc(NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])c1)C(=O)OC(C)(C)C ZINC001441192093 1066013945 /nfs/dbraw/zinc/01/39/45/1066013945.db2.gz XBLIWKGNVQSXMD-UHFFFAOYSA-N -1 0 454.502 4.726 20 0 JJADRM C[C@H]1CCC[C@@H](NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Br)cc2)C1 ZINC001441245615 1066019595 /nfs/dbraw/zinc/01/95/95/1066019595.db2.gz HBOQKRUKSYYHDK-GOEBONIOSA-N -1 0 451.386 4.558 20 0 JJADRM C[C@@H]1CCC[C@H](NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Br)cc2)C1 ZINC001441245622 1066019742 /nfs/dbraw/zinc/01/97/42/1066019742.db2.gz HBOQKRUKSYYHDK-ZBFHGGJFSA-N -1 0 451.386 4.558 20 0 JJADRM C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cccs2)c1 ZINC001441548076 1066050220 /nfs/dbraw/zinc/05/02/20/1066050220.db2.gz LJTXXWMZGBIAOK-LBPRGKRZSA-N -1 0 454.932 4.747 20 0 JJADRM CCCOc1ccc(CNC(=O)c2cc(Cl)ccc2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC001441586633 1066052143 /nfs/dbraw/zinc/05/21/43/1066052143.db2.gz AJLYUGGZWWMAMY-UHFFFAOYSA-N -1 0 458.967 4.860 20 0 JJADRM O=C(Nc1ccc(OC(F)F)c(F)c1)c1cc(Br)cc(Br)c1[O-] ZINC001441723928 1066064241 /nfs/dbraw/zinc/06/42/41/1066064241.db2.gz MCTGUQLQNPWOSH-UHFFFAOYSA-N -1 0 455.024 4.910 20 0 JJADRM O=C(NCC1(c2cccc(Cl)c2)CCCC1)c1cccc(I)c1[O-] ZINC001442236453 1066106491 /nfs/dbraw/zinc/10/64/91/1066106491.db2.gz KQEQUEMGLMVPEY-UHFFFAOYSA-N -1 0 455.723 4.892 20 0 JJADRM COc1ccc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccccc2)cc1-c1ccccn1 ZINC001442375302 1066121452 /nfs/dbraw/zinc/12/14/52/1066121452.db2.gz LJZMKOCIWBPQBV-UHFFFAOYSA-N -1 0 459.527 4.810 20 0 JJADRM C[C@H]1CCCC[C@@H]1CNC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccccc1Cl)c2=O ZINC001442748518 1066156841 /nfs/dbraw/zinc/15/68/41/1066156841.db2.gz MBRPLKOMNCCPID-DOTOQJQBSA-N -1 0 456.011 4.943 20 0 JJADRM CCOc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2C)cc1OC ZINC001442771372 1066221232 /nfs/dbraw/zinc/22/12/32/1066221232.db2.gz VNBACTHGGWGZIB-UHFFFAOYSA-N -1 0 458.511 4.595 20 0 JJADRM CC[C@@H](NC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1[O-])C1CCCCC1 ZINC001442780053 1066221809 /nfs/dbraw/zinc/22/18/09/1066221809.db2.gz FQVUDOVYIFLIDQ-HXUWFJFHSA-N -1 0 450.988 4.935 20 0 JJADRM CCCS(=O)(=O)[N-]c1ccccc1C(=O)NCc1ccc(OC(C)C)cc1C(F)(F)F ZINC001442970479 1066247576 /nfs/dbraw/zinc/24/75/76/1066247576.db2.gz ZIMJACLODSAXJZ-UHFFFAOYSA-N -1 0 458.502 4.574 20 0 JJADRM Cc1nc(CNC(=O)c2ccsc2NC(=O)c2ccc(Cl)cc2[O-])nc2ccccc12 ZINC001442969203 1066247812 /nfs/dbraw/zinc/24/78/12/1066247812.db2.gz SJESIRQNVDXZQU-UHFFFAOYSA-N -1 0 452.923 4.541 20 0 JJADRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H](c1nnn[n-]1)c1ccccc1 ZINC001454256502 1066258234 /nfs/dbraw/zinc/25/82/34/1066258234.db2.gz UZJCKJFCHWFFEQ-QGZVFWFLSA-N -1 0 457.321 4.804 20 0 JJADRM Cc1cc(NC(=O)c2nn(-c3cc(C)ccc3F)cc2[O-])n(-c2ccccc2C(F)(F)F)n1 ZINC001443209472 1066280189 /nfs/dbraw/zinc/28/01/89/1066280189.db2.gz WWOZGZKCWYFKLT-UHFFFAOYSA-N -1 0 459.403 4.791 20 0 JJADRM O=C(Nc1nc(-c2ccc[nH]2)cs1)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC001443265407 1066287199 /nfs/dbraw/zinc/28/71/99/1066287199.db2.gz PRZVREYXRKAFLB-UHFFFAOYSA-N -1 0 458.952 4.845 20 0 JJADRM O=C(NCc1ccsc1C(F)(F)F)c1cc(Br)c([O-])c(Br)c1 ZINC001454540734 1066298477 /nfs/dbraw/zinc/29/84/77/1066298477.db2.gz NLIWJXNZUXHLNH-UHFFFAOYSA-N -1 0 459.081 4.928 20 0 JJADRM O=C(Nc1nnc(-c2c(Cl)cccc2Cl)s1)c1nn(-c2ccccc2F)cc1[O-] ZINC001454558662 1066301121 /nfs/dbraw/zinc/30/11/21/1066301121.db2.gz ANDHVANXKJLKEZ-UHFFFAOYSA-N -1 0 450.282 4.795 20 0 JJADRM COc1ccc2oc([C@@H](C)NC(=O)c3cccc(I)c3[O-])c(C)c2c1 ZINC001443574838 1066330122 /nfs/dbraw/zinc/33/01/22/1066330122.db2.gz AUNOAWDKECDUQI-LLVKDONJSA-N -1 0 451.260 4.551 20 0 JJADRM O=C(CCCCCn1c(=O)c2ccccc2[n-]c1=S)N1CCC[C@](F)(c2ccccc2)C1 ZINC001454930630 1066343520 /nfs/dbraw/zinc/34/35/20/1066343520.db2.gz JRJDQZCNQVDETF-RUZDIDTESA-N -1 0 453.583 4.733 20 0 JJADRM COC[C@@H](NC(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-])c1cccc(Br)c1 ZINC001455005399 1066351647 /nfs/dbraw/zinc/35/16/47/1066351647.db2.gz KXEZSENDKAUELK-LJQANCHMSA-N -1 0 458.356 4.581 20 0 JJADRM COc1ccc(C(=O)N2CC([C@H]3CCC[C@@H](C)C3)C2)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC001455005305 1066351862 /nfs/dbraw/zinc/35/18/62/1066351862.db2.gz UXDWYVFDVIISSV-MOPGFXCFSA-N -1 0 456.608 4.703 20 0 JJADRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)C1 ZINC001455011129 1066353523 /nfs/dbraw/zinc/35/35/23/1066353523.db2.gz ABMIOANLJJSINQ-HXUWFJFHSA-N -1 0 456.917 4.915 20 0 JJADRM O=C(N[C@@H](c1ccc(Cl)cc1)C1CCCC1)c1cnc(I)c([O-])c1 ZINC001443703225 1066353645 /nfs/dbraw/zinc/35/36/45/1066353645.db2.gz YHWZMPGZGFUPLU-MRXNPFEDSA-N -1 0 456.711 4.707 20 0 JJADRM O=C(N[C@H](c1ccc(Cl)cc1)C1CCCC1)c1cnc(I)c([O-])c1 ZINC001443703222 1066353821 /nfs/dbraw/zinc/35/38/21/1066353821.db2.gz YHWZMPGZGFUPLU-INIZCTEOSA-N -1 0 456.711 4.707 20 0 JJADRM COc1ccccc1[C@H](NC(=O)c1cc(I)ccc1O)c1ccccc1 ZINC001443762172 1066363622 /nfs/dbraw/zinc/36/36/22/1066363622.db2.gz KIWUECSXOGICLB-HXUWFJFHSA-N -1 0 459.283 4.525 20 0 JJADRM O=C(NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(Br)cc1O ZINC001443763298 1066363719 /nfs/dbraw/zinc/36/37/19/1066363719.db2.gz DFXBTXOZSHYKKJ-UHFFFAOYSA-N -1 0 458.183 4.856 20 0 JJADRM O=C(N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC001455273335 1066378394 /nfs/dbraw/zinc/37/83/94/1066378394.db2.gz JTGCBIGMWOVUBM-PZJWPPBQSA-N -1 0 478.467 4.931 20 0 JJADRM Cc1ccc([C@@H]2CCN(C(=O)c3ccc([N-]S(=O)(=O)C(F)(F)F)c(C)c3)C2(C)C)cc1 ZINC001455282694 1066379957 /nfs/dbraw/zinc/37/99/57/1066379957.db2.gz GKWUYIXONRJFBO-SFHVURJKSA-N -1 0 454.514 4.973 20 0 JJADRM O=C(Nc1nc(/C=C\c2ccccc2)cs1)c1cccc([N-]S(=O)(=O)C(F)(F)F)c1 ZINC001443911685 1066384616 /nfs/dbraw/zinc/38/46/16/1066384616.db2.gz KIBCTLDUABAOHX-KTKRTIGZSA-N -1 0 453.467 4.827 20 0 JJADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@@H](Cc2ccccc2)C2CC2)ccc1F ZINC001443978987 1066390125 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CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCC(C)(C)C3)ccc2Cl)cc1 ZINC001457753205 1066911966 /nfs/dbraw/zinc/91/19/66/1066911966.db2.gz YBUSYWRKBURAIF-UHFFFAOYSA-N -1 0 450.988 4.802 20 0 JJADRM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)C1(c2c(F)cccc2F)CCC1 ZINC001457786450 1066919771 /nfs/dbraw/zinc/91/97/71/1066919771.db2.gz GIGNGGKXXWXNQD-LJQANCHMSA-N -1 0 453.533 4.626 20 0 JJADRM CC[C@@H]1CCC[C@H]1CNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2OC)c1 ZINC001457817498 1066927551 /nfs/dbraw/zinc/92/75/51/1066927551.db2.gz GCFDUPSARWKFLJ-WBVHZDCISA-N -1 0 450.988 4.706 20 0 JJADRM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC3CC(C(C)(C)C)C3)ccc2Cl)cc1 ZINC001457843368 1066931530 /nfs/dbraw/zinc/93/15/30/1066931530.db2.gz AKSJORFMSWGGOE-UHFFFAOYSA-N -1 0 450.988 4.704 20 0 JJADRM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H]3CS[C@H](C)C3)c(Cl)cc2Cl)c1 ZINC001457860283 1066932877 /nfs/dbraw/zinc/93/28/77/1066932877.db2.gz JNKWCMIFQGPCAQ-OCCSQVGLSA-N -1 0 459.420 4.726 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NC2(c3ccccc3C)CC2)ccc1C ZINC001457869973 1066933695 /nfs/dbraw/zinc/93/36/95/1066933695.db2.gz CBCKXMCEZSJWHJ-UHFFFAOYSA-N -1 0 450.560 4.532 20 0 JJADRM Cc1sc(NC(=O)c2cccc(Br)c2[O-])nc1-c1ccc2c(c1)CCC(=O)N2 ZINC001448537408 1066937272 /nfs/dbraw/zinc/93/72/72/1066937272.db2.gz HEHKDVLYOJCXKN-UHFFFAOYSA-N -1 0 458.337 4.724 20 0 JJADRM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC001457909027 1066939713 /nfs/dbraw/zinc/93/97/13/1066939713.db2.gz MZRJWPGEBXHCHE-BBRMVZONSA-N -1 0 450.423 4.575 20 0 JJADRM Cc1cc2c(cc1C)[C@@H](C(=O)Nc1cc(S(=O)(=O)[N-]c3ccccc3)c(F)cc1C)CO2 ZINC001448617160 1066942282 /nfs/dbraw/zinc/94/22/82/1066942282.db2.gz BNWOHICADYEQTC-IBGZPJMESA-N -1 0 454.523 4.666 20 0 JJADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@@H](C)c2cccc(O)c2)c1C ZINC001448617719 1066942959 /nfs/dbraw/zinc/94/29/59/1066942959.db2.gz AZNNETHETBYMSD-IBGZPJMESA-N -1 0 452.576 4.918 20 0 JJADRM O=C(c1ccc2c(=O)n(Cc3ccccc3Cl)c(=S)[n-]c2c1)N1CCC[C@@H](CCF)C1 ZINC001457933980 1066943421 /nfs/dbraw/zinc/94/34/21/1066943421.db2.gz PZVDMDVQVMFIKF-HNNXBMFYSA-N -1 0 459.974 4.599 20 0 JJADRM COC[C@H](C)Nc1ccccc1NC(=O)c1cc(Br)c([O-])c(Br)c1 ZINC001448678121 1066949602 /nfs/dbraw/zinc/94/96/02/1066949602.db2.gz UXNJAPGBHLMIMO-JTQLQIEISA-N -1 0 458.150 4.616 20 0 JJADRM O=C(NCc1cc(F)c(Br)cc1F)c1cc(Cl)cc(Br)c1[O-] ZINC001457975151 1066950028 /nfs/dbraw/zinc/95/00/28/1066950028.db2.gz POUHRQNUIKNPBD-UHFFFAOYSA-N -1 0 455.480 4.779 20 0 JJADRM C[C@@H]1C[C@H](CCNC(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2ccco2)c3=O)CC(C)(C)C1 ZINC001448715652 1066952625 /nfs/dbraw/zinc/95/26/25/1066952625.db2.gz AIEFURFHDFMKCF-SJORKVTESA-N -1 0 453.608 4.909 20 0 JJADRM Cc1nc(-c2ccccc2NC(=O)c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cs1 ZINC001448964466 1066973962 /nfs/dbraw/zinc/97/39/62/1066973962.db2.gz RFJVXIYCEKZWGE-UHFFFAOYSA-N -1 0 456.574 4.628 20 0 JJADRM CCC(C)(C)c1ccc(NC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2[O-])cc1 ZINC001448964468 1066974136 /nfs/dbraw/zinc/97/41/36/1066974136.db2.gz KIVJRJNTGASINH-UHFFFAOYSA-N -1 0 452.576 4.811 20 0 JJADRM O=C(Cn1ncc2ccccc21)Nc1ccc(NC(=O)c2cc(Cl)ccc2[O-])c(Cl)c1 ZINC001449134222 1066985000 /nfs/dbraw/zinc/98/50/00/1066985000.db2.gz PURVLGQZTBDMNK-UHFFFAOYSA-N -1 0 455.301 4.940 20 0 JJADRM O=C(Nc1ccc(NC(=O)c2cc(Cl)ccc2[O-])c(Cl)c1)c1ccn(CC(F)F)n1 ZINC001449135166 1066985084 /nfs/dbraw/zinc/98/50/84/1066985084.db2.gz RUUZJHGJHTYNAB-UHFFFAOYSA-N -1 0 455.248 4.665 20 0 JJADRM CC(C)(C)OC(=O)Nc1ccc2sc(C(=O)Nc3cccc(-c4n[nH]c(=O)[n-]4)c3)cc2c1 ZINC001449242204 1066992746 /nfs/dbraw/zinc/99/27/46/1066992746.db2.gz QWCSYHDUKNBDMW-UHFFFAOYSA-N -1 0 451.508 4.991 20 0 JJADRM CC[C@@](NC(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-])(C(=O)OC)c1ccc(Cl)cc1 ZINC001449354290 1067002431 /nfs/dbraw/zinc/00/24/31/1067002431.db2.gz ZDFGWNIZBUKGFO-DEOSSOPVSA-N -1 0 455.942 4.563 20 0 JJADRM CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)c2[O-])CC1 ZINC001449570325 1067015153 /nfs/dbraw/zinc/01/51/53/1067015153.db2.gz ADBWZNAPLNEEDI-SFHVURJKSA-N -1 0 456.505 4.909 20 0 JJADRM CC[C@@H](C)[C@@H](CNC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1)OC ZINC001449917189 1067037318 /nfs/dbraw/zinc/03/73/18/1067037318.db2.gz ONOYJVFRFUUAMZ-FZKQIMNGSA-N -1 0 459.395 4.585 20 0 JJADRM CC(C)OCCCN(C)C(=O)c1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC001450001716 1067040945 /nfs/dbraw/zinc/04/09/45/1067040945.db2.gz RICTVSHFTXXHFJ-UHFFFAOYSA-N -1 0 459.395 4.681 20 0 JJADRM CCc1nocc1CN(C)C(=O)c1ccccc1[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC001450065414 1067047068 /nfs/dbraw/zinc/04/70/68/1067047068.db2.gz SOSJFRMLPYZFTH-UHFFFAOYSA-N -1 0 455.580 4.544 20 0 JJADRM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)NC[C@@H]1CSc2ccccc21 ZINC001450106199 1067049392 /nfs/dbraw/zinc/04/93/92/1067049392.db2.gz HHCAHKSAFGGZQX-MRXNPFEDSA-N -1 0 456.564 4.554 20 0 JJADRM CCC1(CC)CN(C(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Br)cc2)C1 ZINC001450197557 1067059376 /nfs/dbraw/zinc/05/93/76/1067059376.db2.gz ZZIJQJAMHCGLDT-UHFFFAOYSA-N -1 0 451.386 4.512 20 0 JJADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3)ccc2Cl)c1 ZINC001450218116 1067060807 /nfs/dbraw/zinc/06/08/07/1067060807.db2.gz NPDKDLFIRYOPNN-UHFFFAOYSA-N -1 0 458.923 4.691 20 0 JJADRM CC(C)c1ccc2ncnc(N3CC[C@@H](c4ccc(F)cc4)[C@@H]([N-]C(=O)C(F)(F)F)C3)c2c1 ZINC001458480245 1067072772 /nfs/dbraw/zinc/07/27/72/1067072772.db2.gz VAMYRWLVWPWFOG-RXVVDRJESA-N -1 0 460.475 4.933 20 0 JJADRM COc1cc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2cc(C)ccc2C)cc(OC)c1C ZINC001450400124 1067076183 /nfs/dbraw/zinc/07/61/83/1067076183.db2.gz RCUHLJRZZZHEPL-UHFFFAOYSA-N -1 0 454.548 4.682 20 0 JJADRM C[C@@H](F)CCNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)c(Cl)cc1Cl ZINC001450494574 1067085234 /nfs/dbraw/zinc/08/52/34/1067085234.db2.gz VPNIVRIVFNPUAZ-SNVBAGLBSA-N -1 0 453.750 4.926 20 0 JJADRM Cc1ccc(-n2[n-]c(C(=O)Nc3ncc(-c4ccc(Br)cc4)s3)cc2=O)cc1 ZINC001450542599 1067088361 /nfs/dbraw/zinc/08/83/61/1067088361.db2.gz JZJGEICEACDPAC-UHFFFAOYSA-N -1 0 455.337 4.612 20 0 JJADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)NCc3nc4cc(Br)ccc4o3)n2)cc1 ZINC001450693899 1067104365 /nfs/dbraw/zinc/10/43/65/1067104365.db2.gz QBDKAPFTJHQNID-UHFFFAOYSA-N -1 0 455.312 4.535 20 0 JJADRM O=C(N[C@H](C1CC1)C1CCC1)c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC001450907679 1067135317 /nfs/dbraw/zinc/13/53/17/1067135317.db2.gz IMGYBCSWNWSRCX-FQEVSTJZSA-N -1 0 452.498 4.815 20 0 JJADRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@@H](C)CCCc2cccnc2)c1 ZINC001451147387 1067150068 /nfs/dbraw/zinc/15/00/68/1067150068.db2.gz HWBPINIFOJSPEJ-FQEVSTJZSA-N -1 0 451.592 4.640 20 0 JJADRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC001545823955 1067168749 /nfs/dbraw/zinc/16/87/49/1067168749.db2.gz FSLQFNPNHGCING-UHFFFAOYSA-N -1 0 455.294 4.891 20 0 JJADRM Cc1cc(C(=O)N2CCC[C@]2(C)Cc2ccc(F)cc2)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC001451806428 1067192627 /nfs/dbraw/zinc/19/26/27/1067192627.db2.gz XSOKOSDKUZNRMA-HXUWFJFHSA-N -1 0 458.477 4.633 20 0 JJADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2cc([C@@H]3C[C@H]3C)[nH]n2)c1C ZINC001452309205 1067219270 /nfs/dbraw/zinc/21/92/70/1067219270.db2.gz BEUVJAPEKMKIKG-DNVCBOLYSA-N -1 0 452.580 4.820 20 0 JJADRM O=C(Nc1ccc(CO)cc1)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC001452443585 1067224399 /nfs/dbraw/zinc/22/43/99/1067224399.db2.gz MYPKESFTKXDRHK-UHFFFAOYSA-N -1 0 451.331 4.539 20 0 JJADRM COc1cccc(N(CC(=O)[N-]OCc2ccc(C(F)(F)F)cc2)C(=O)OC(C)(C)C)c1 ZINC001546039061 1067226116 /nfs/dbraw/zinc/22/61/16/1067226116.db2.gz LAVBGMWEUVCGTB-UHFFFAOYSA-N -1 0 454.445 4.704 20 0 JJADRM CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2C)c1)[C@H]1CCCCO1 ZINC001452630017 1067238955 /nfs/dbraw/zinc/23/89/55/1067238955.db2.gz GFNDJWLCZXWXGG-AZUAARDMSA-N -1 0 450.988 4.527 20 0 JJADRM CC(C)(C)OC(=O)[C@@H]1C[C@H](NC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])c2ccccc21 ZINC001452746638 1067248106 /nfs/dbraw/zinc/24/81/06/1067248106.db2.gz RGJMZSHLNVXLNT-MOPGFXCFSA-N -1 0 453.926 4.531 20 0 JJADRM O=C([N-][C@H]1CN(C(=O)c2cc3cc(F)ccc3s2)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC001452987990 1067271107 /nfs/dbraw/zinc/27/11/07/1067271107.db2.gz BDXZFHLXPSUVQP-IRXDYDNUSA-N -1 0 468.447 4.856 20 0 JJADRM C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)c1ncc(Br)cc1[O-] ZINC001452997133 1067272865 /nfs/dbraw/zinc/27/28/65/1067272865.db2.gz KQCQQMCKXIQKJS-SFHVURJKSA-N -1 0 459.262 4.686 20 0 JJADRM CSCC1(CCNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(F)cc3)c2)CC1 ZINC001453069653 1067276490 /nfs/dbraw/zinc/27/64/90/1067276490.db2.gz BAYBIKOCPRPSMO-UHFFFAOYSA-N -1 0 456.992 4.543 20 0 JJADRM CC(C)Cc1ccc(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@@H]([N-]C(=O)C(F)(F)F)C2)s1 ZINC001453135516 1067283324 /nfs/dbraw/zinc/28/33/24/1067283324.db2.gz ZXXVJPHAUFMPTC-ROUUACIJSA-N -1 0 456.505 4.763 20 0 JJADRM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)CCOC3)ccc1Cl ZINC001453528825 1067310898 /nfs/dbraw/zinc/31/08/98/1067310898.db2.gz WTHRVXREZMBLKI-UHFFFAOYSA-N -1 0 456.951 4.774 20 0 JJADRM CCCOc1cncc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2)c1 ZINC001453634318 1067319924 /nfs/dbraw/zinc/31/99/24/1067319924.db2.gz NGIJOSSQLJQWAN-UHFFFAOYSA-N -1 0 451.957 4.638 20 0 JJADRM COc1ccc([C@@H]2CCN(Cc3ccsc3Cl)C[C@@H]2[N-]C(=O)C(F)(F)F)cc1F ZINC001460362391 1067618629 /nfs/dbraw/zinc/61/86/29/1067618629.db2.gz NGGJYZMTSFIYDF-ZFWWWQNUSA-N -1 0 450.885 4.586 20 0 JJADRM O=C([N-][C@@H]1CN(Cc2cn3cc(Cl)cc(Cl)c3n2)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001460457821 1067637538 /nfs/dbraw/zinc/63/75/38/1067637538.db2.gz FLYPJPGIIMJDOK-SJLPKXTDSA-N -1 0 471.310 4.678 20 0 JJADRM O=C([N-][C@@H]1CN(Cc2ccc(Br)c(F)c2F)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001460473573 1067640386 /nfs/dbraw/zinc/64/03/86/1067640386.db2.gz RDSSICUWGIWEBO-GDBMZVCRSA-N -1 0 477.271 4.764 20 0 JJADRM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)C[C@H](C)c3ccc(C(C)C)cc3)cc2)n1 ZINC001460624365 1067676283 /nfs/dbraw/zinc/67/62/83/1067676283.db2.gz DKDDTOXTNDPXQH-KRWDZBQOSA-N -1 0 452.580 4.842 20 0 JJADRM CC/C(=C/C(=O)N1C[C@@H]([N-]C(=O)C(F)(F)F)CC[C@H]1C(F)(F)F)c1cccc(Cl)c1 ZINC001461573910 1067891373 /nfs/dbraw/zinc/89/13/73/1067891373.db2.gz HAUOBXRFDDUWLZ-ACVZPDSXSA-N -1 0 456.814 4.734 20 0 JJADRM CC(C)(C)OC(=O)[C@](C)(NC(=O)C(F)(F)c1cccc(Br)c1)c1ccccc1 ZINC001461871815 1067951762 /nfs/dbraw/zinc/95/17/62/1067951762.db2.gz PLSZOBGAOXXMDA-HXUWFJFHSA-N -1 0 454.311 4.914 20 0 JJADRM O=C([N-]Cc1cc(F)cc(NC(=O)c2cc(-c3cccc(Cl)c3F)no2)c1)C(F)(F)F ZINC001462012311 1067980023 /nfs/dbraw/zinc/98/00/23/1067980023.db2.gz VJRUHKPJROURJB-UHFFFAOYSA-N -1 0 459.758 4.704 20 0 JJADRM COC(=O)[C@@H](NCc1cc(Br)c([O-])c(Br)c1)c1cc(C)cc(C)c1 ZINC001462119751 1068008193 /nfs/dbraw/zinc/00/81/93/1068008193.db2.gz USQJUHVGMUNJHL-INIZCTEOSA-N -1 0 457.162 4.538 20 0 JJADRM CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)S(=O)(=O)c1cccc(Cl)c1[O-] ZINC001462739386 1068150105 /nfs/dbraw/zinc/15/01/05/1068150105.db2.gz XSHBURLITFZPHN-UHFFFAOYSA-N -1 0 459.980 4.781 20 0 JJADRM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](Cc2ccc(Cl)cc2)c2ccccc2)oc1Cl ZINC001462894285 1068205978 /nfs/dbraw/zinc/20/59/78/1068205978.db2.gz PIQLIRLBXNYNKF-KRWDZBQOSA-N -1 0 454.331 4.635 20 0 JJADRM Cc1nn(-c2ccccc2)c(C)c1[C@H]([N-]S(=O)(=O)Cc1ccc(C)cc1F)C(F)(F)F ZINC001463237789 1068330808 /nfs/dbraw/zinc/33/08/08/1068330808.db2.gz KYYHITZCERXPTB-FQEVSTJZSA-N -1 0 455.477 4.660 20 0 JJADRM CC(C)(C)Oc1ccc(CC[N-]S(=O)(=O)c2oc3ccccc3c2Br)cc1 ZINC001463377595 1068377163 /nfs/dbraw/zinc/37/71/63/1068377163.db2.gz WQTPMDATVWXMRR-UHFFFAOYSA-N -1 0 452.370 4.894 20 0 JJADRM COc1ccc([C@H]([N-]S(=O)(=O)c2cccnc2Oc2ccc(F)cc2)C(F)(F)F)cc1 ZINC001463381736 1068378503 /nfs/dbraw/zinc/37/85/03/1068378503.db2.gz FTSBYCXRMQGNKE-SFHVURJKSA-N -1 0 456.417 4.604 20 0 JJADRM COc1ccc([C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Br)C(F)(F)F)cc1 ZINC001463384422 1068379760 /nfs/dbraw/zinc/37/97/60/1068379760.db2.gz YGGKKHCTOCMILI-CQSZACIVSA-N -1 0 458.683 4.693 20 0 JJADRM O=C(Nc1cccc2cccnc21)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC001463578898 1068453708 /nfs/dbraw/zinc/45/37/08/1068453708.db2.gz ZHQINMMKVIKKPE-UHFFFAOYSA-N -1 0 453.907 4.647 20 0 JJADRM O=C(c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC001463590929 1068458780 /nfs/dbraw/zinc/45/87/80/1068458780.db2.gz ANRBLFSNKGWTJT-RDJZCZTQSA-N -1 0 450.963 4.932 20 0 JJADRM CC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl)c1ccccc1F ZINC001463952298 1068573702 /nfs/dbraw/zinc/57/37/02/1068573702.db2.gz YNBQZMZXKQAIGX-OAHLLOKOSA-N -1 0 455.132 4.504 20 0 JJADRM CC(=O)[C@H]([N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl)c1ccccc1F ZINC001463952296 1068573808 /nfs/dbraw/zinc/57/38/08/1068573808.db2.gz YNBQZMZXKQAIGX-HNNXBMFYSA-N -1 0 455.132 4.504 20 0 JJADRM CC[C@@H](C)c1ccc([C@@H](NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2[O-])C(C)C)cc1 ZINC001463963160 1068576713 /nfs/dbraw/zinc/57/67/13/1068576713.db2.gz RESJUJKIZMSIHB-KOSHJBKYSA-N -1 0 458.624 4.817 20 0 JJADRM O=C(CCc1ccccc1F)Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1F ZINC001464088216 1068610331 /nfs/dbraw/zinc/61/03/31/1068610331.db2.gz OHDPIQQTBJFSDQ-UHFFFAOYSA-N -1 0 450.894 4.990 20 0 JJADRM CCOc1cc(Cl)ccc1C(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cccs2)c1 ZINC001464223524 1068664260 /nfs/dbraw/zinc/66/42/60/1068664260.db2.gz GEQDAZJYSHKAOI-UHFFFAOYSA-N -1 0 454.932 4.992 20 0 JJADRM O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC001464259620 1068679217 /nfs/dbraw/zinc/67/92/17/1068679217.db2.gz JZNLHDNBPIXUJR-UHFFFAOYSA-N -1 0 457.811 4.901 20 0 JJADRM CC(C)(C)[C@H]1CCc2nc(NC(=O)c3ccc(I)cc3[O-])sc2C1 ZINC001546147163 1068757907 /nfs/dbraw/zinc/75/79/07/1068757907.db2.gz KLHTVEGALRISLG-JTQLQIEISA-N -1 0 456.349 4.857 20 0 JJADRM O=C(NCCCN1CCN(c2ccccc2Cl)CC1)c1cc(Cl)c2ccccc2c1[O-] ZINC001464474046 1068759464 /nfs/dbraw/zinc/75/94/64/1068759464.db2.gz FHLFVYUHAXENBI-UHFFFAOYSA-N -1 0 458.389 4.794 20 0 JJADRM Cc1[nH]c2ccc(CNC(=O)c3cc(Br)c([O-])c(Br)c3)cc2c1C ZINC001464519796 1068771175 /nfs/dbraw/zinc/77/11/75/1068771175.db2.gz LSSMQKFYYQWWJJ-UHFFFAOYSA-N -1 0 452.146 4.945 20 0 JJADRM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl)c1cccc2ccccc21 ZINC001464539524 1068776283 /nfs/dbraw/zinc/77/62/83/1068776283.db2.gz JTFIESIKTMHQGR-GOSISDBHSA-N -1 0 457.857 4.705 20 0 JJADRM O=C(Nc1ccc(C(=O)N2CCc3ccccc32)cc1)c1cc(Br)c(F)cc1[O-] ZINC001464557643 1068780698 /nfs/dbraw/zinc/78/06/98/1068780698.db2.gz PWYCHLYUEBQUFD-UHFFFAOYSA-N -1 0 455.283 4.749 20 0 JJADRM COc1c(F)cc(S(=O)(=O)[N-][C@H](c2ccc(Cl)cc2Cl)C(F)(F)F)cc1F ZINC001464585421 1068791989 /nfs/dbraw/zinc/79/19/89/1068791989.db2.gz SLARWCKRSDJPGH-CQSZACIVSA-N -1 0 450.212 4.862 20 0 JJADRM C[C@H](NC(=O)c1cc(CCc2ccccc2)ccc1O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001464675360 1068821020 /nfs/dbraw/zinc/82/10/20/1068821020.db2.gz GMQWEPMCLSPRMU-SIKLNZKXSA-N -1 0 452.595 4.943 20 0 JJADRM O=C(Nc1ccccc1)Nc1cccc(CNC(=O)c2cc(Br)c(F)cc2[O-])c1 ZINC001464680455 1068822628 /nfs/dbraw/zinc/82/26/28/1068822628.db2.gz UWXGSMVMUZIMEO-UHFFFAOYSA-N -1 0 458.287 4.868 20 0 JJADRM COc1cc(CNC(=O)c2cc(Cl)c3ccccc3c2[O-])cc(Br)c1OC ZINC001464693648 1068827584 /nfs/dbraw/zinc/82/75/84/1068827584.db2.gz ITDSNYBEWGJULU-UHFFFAOYSA-N -1 0 450.716 4.909 20 0 JJADRM CN(C(C)(C)C)C(F)(F)c1ccccc1S(=O)(=O)[N-]c1nc2ccccc2nc1Cl ZINC001165021778 721833856 /nfs/dbraw/zinc/83/38/56/721833856.db2.gz LGZWQLVNMSTNDD-UHFFFAOYSA-N -1 0 454.930 4.864 20 0 JJADRM COc1cccc([C@@H]2C[C@H]2C(=O)N[C@H](C)c2ccccc2[N-]S(=O)(=O)c2cccs2)c1 ZINC001545850765 1064261251 /nfs/dbraw/zinc/26/12/51/1064261251.db2.gz QAOQUFSRWIRGAM-UIAACRFSSA-N -1 0 456.589 4.538 20 0 JJADRM COc1cccc2cc(C(=O)N[C@@H](C)c3ccccc3[N-]S(=O)(=O)c3cccs3)oc21 ZINC001545852959 1064262824 /nfs/dbraw/zinc/26/28/24/1064262824.db2.gz CKQJQOBVTALKOI-AWEZNQCLSA-N -1 0 456.545 4.795 20 0 JJADRM C[C@@H](NC(=O)[C@H](C)CSC(F)(F)F)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC001545853549 1064263166 /nfs/dbraw/zinc/26/31/66/1064263166.db2.gz OSSOAYZBGAVCRA-VXGBXAGGSA-N -1 0 452.545 4.615 20 0 JJADRM C[C@H](NC(=O)c1cc(-c2ccccc2)on1)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC001545853500 1064263243 /nfs/dbraw/zinc/26/32/43/1064263243.db2.gz NIMONHITKOGUFW-HNNXBMFYSA-N -1 0 453.545 4.695 20 0 JJADRM Cc1cc(C)cc(-c2nnc(NC(=O)c3cc4ccccc4cc3[N-]S(C)(=O)=O)s2)c1 ZINC001435119814 1064526538 /nfs/dbraw/zinc/52/65/38/1064526538.db2.gz QCZZWASRBXKYBF-UHFFFAOYSA-N -1 0 452.561 4.599 20 0 JJADRM O=C([N-]C[C@H]1Cc2ccccc2N1C(=O)c1cc(C(F)(F)F)ccc1Cl)C(F)(F)F ZINC001436909308 1065468534 /nfs/dbraw/zinc/46/85/34/1065468534.db2.gz GLUJCBXYAFISIX-GFCCVEGCSA-N -1 0 450.766 4.609 20 0 JJADRM CCSc1ccccc1C(=O)N1CC[C@@H](c2cccc(F)c2)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001437471534 1065557727 /nfs/dbraw/zinc/55/77/27/1065557727.db2.gz BCKQNYRZLMGJEX-WMZOPIPTSA-N -1 0 454.489 4.615 20 0 JJADRM C[C@@H]1CCN(C(=O)[C@@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001440199379 1065923015 /nfs/dbraw/zinc/92/30/15/1065923015.db2.gz LBTOSWHVASXRAL-VMDGZTHMSA-N -1 0 472.866 4.515 20 0 JJADRM CCCc1ccccc1C(=O)Nc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC001440595363 1065953154 /nfs/dbraw/zinc/95/31/54/1065953154.db2.gz LPBQXTOBMVISRH-UHFFFAOYSA-N -1 0 454.548 4.709 20 0 JJADRM CCc1ccccc1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC001440753495 1065976286 /nfs/dbraw/zinc/97/62/86/1065976286.db2.gz IXCLNPANWXMVBQ-UHFFFAOYSA-N -1 0 458.967 4.893 20 0 JJADRM CC(C)CC[C@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC001440888895 1065990546 /nfs/dbraw/zinc/99/05/46/1065990546.db2.gz BYAMPXUQTUYJSJ-HNNXBMFYSA-N -1 0 453.402 4.804 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@@H](C)c2ccc(C)cc2C)cc1 ZINC001441178552 1066012126 /nfs/dbraw/zinc/01/21/26/1066012126.db2.gz QFJVKMQGPIARNI-IBGZPJMESA-N -1 0 452.576 4.946 20 0 JJADRM O=Cc1ccc(/C=C/C(=O)Nc2cc(Cl)ccc2[N-]S(=O)(=O)c2ccccc2F)cc1 ZINC001441192354 1066013956 /nfs/dbraw/zinc/01/39/56/1066013956.db2.gz YBQBISXUWDVMPG-FMIVXFBMSA-N -1 0 458.898 4.744 20 0 JJADRM O=C(Nc1ccc(F)c([N-]S(=O)(=O)c2cccs2)c1)c1ncc(Cc2ccccc2)o1 ZINC001441548456 1066050096 /nfs/dbraw/zinc/05/00/96/1066050096.db2.gz OQHMQXHJBPEJCO-UHFFFAOYSA-N -1 0 457.508 4.519 20 0 JJADRM Cc1cccc(OC[C@@H](C)NC(=O)c2ccc(Cl)cc2[N-]S(=O)(=O)c2ccccc2)c1 ZINC001441982758 1066083910 /nfs/dbraw/zinc/08/39/10/1066083910.db2.gz MYDSJBZDMFRWNO-QGZVFWFLSA-N -1 0 458.967 4.647 20 0 JJADRM COc1ccc(CCCNC(=O)c2ccc(Cl)cc2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC001442087275 1066092257 /nfs/dbraw/zinc/09/22/57/1066092257.db2.gz GNBQNTWGWODBAE-UHFFFAOYSA-N -1 0 458.967 4.512 20 0 JJADRM Cc1cccc(C)c1OC[C@H](C)NC(=O)c1cc(Br)c([O-])c(Br)c1 ZINC001442174971 1066098930 /nfs/dbraw/zinc/09/89/30/1066098930.db2.gz RHTGYPVVOZVHSH-LBPRGKRZSA-N -1 0 457.162 4.731 20 0 JJADRM COc1ccc(NS(=O)(=O)c2ccc([O-])c(C(=O)N(C)c3cccc(C(C)C)c3)c2)cc1 ZINC001442188337 1066100652 /nfs/dbraw/zinc/10/06/52/1066100652.db2.gz RHMIMDQTXRKWSL-UHFFFAOYSA-N -1 0 454.548 4.602 20 0 JJADRM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccccc1)[C@@H]1CCN(c2ccccc2Cl)C1 ZINC001442379068 1066121349 /nfs/dbraw/zinc/12/13/49/1066121349.db2.gz VNZALDCZKVHCOS-QGZVFWFLSA-N -1 0 455.967 4.606 20 0 JJADRM Cc1ccccc1N1CCN(C(=O)c2ccsc2NC(=O)c2ccc(Cl)cc2[O-])CC1 ZINC001442407175 1066125765 /nfs/dbraw/zinc/12/57/65/1066125765.db2.gz OQIYXYWDVKWQLN-UHFFFAOYSA-N -1 0 455.967 4.630 20 0 JJADRM COc1ccc([C@H](Cc2ccccc2C)NC(=O)c2nn(-c3ccccc3)cc2[O-])cc1OC ZINC001442469181 1066128618 /nfs/dbraw/zinc/12/86/18/1066128618.db2.gz JMNQLCUVPCVROK-QFIPXVFZSA-N -1 0 457.530 4.617 20 0 JJADRM O=C(NCc1cccc(NC(=O)C2CCCCC2)c1)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC001442476368 1066130327 /nfs/dbraw/zinc/13/03/27/1066130327.db2.gz MFURJKGSKRRUDV-UHFFFAOYSA-N -1 0 452.942 4.680 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)NC[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c1 ZINC001442619997 1066145893 /nfs/dbraw/zinc/14/58/93/1066145893.db2.gz QALFYSXQJDGNKN-RCZSKKKRSA-N -1 0 458.624 4.934 20 0 JJADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)Nc3ccc(Cl)cc3C(=O)N3CCCC3)n2)c1 ZINC001443054605 1066259978 /nfs/dbraw/zinc/25/99/78/1066259978.db2.gz NDIRVXHAIAOQTO-UHFFFAOYSA-N -1 0 452.942 4.843 20 0 JJADRM CCc1ccccc1-n1cc([O-])c(C(=O)Nc2cc(OC)ccc2NC(=O)OC(C)(C)C)n1 ZINC001443087389 1066264812 /nfs/dbraw/zinc/26/48/12/1066264812.db2.gz NLCJOMZUAVBXSN-UHFFFAOYSA-N -1 0 452.511 4.748 20 0 JJADRM COc1cccc(CC(=O)N2CCc3ccc(NC(=O)c4cc(F)c([O-])c(Cl)c4)cc32)c1 ZINC001443215218 1066281603 /nfs/dbraw/zinc/28/16/03/1066281603.db2.gz LYFHCCICAJOVFT-UHFFFAOYSA-N -1 0 454.885 4.577 20 0 JJADRM O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1F)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC001454456959 1066284144 /nfs/dbraw/zinc/28/41/44/1066284144.db2.gz KYSPJZLHWUCAJY-GHTZIAJQSA-N -1 0 462.905 4.705 20 0 JJADRM O=C(NC[C@H]1CCCCN1Cc1cccc(Cl)c1)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC001443352369 1066298501 /nfs/dbraw/zinc/29/85/01/1066298501.db2.gz CMRQMZWRSKMMEW-HXUWFJFHSA-N -1 0 459.377 4.669 20 0 JJADRM O=C(CSc1n[n-]c(=S)s1)Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1 ZINC001443534378 1066325619 /nfs/dbraw/zinc/32/56/19/1066325619.db2.gz AZHJYGVISHJRSG-KRWDZBQOSA-N -1 0 456.618 4.535 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](c2ccccc2)C2CCC2)cc1 ZINC001443603177 1066335829 /nfs/dbraw/zinc/33/58/29/1066335829.db2.gz WHGNKPGOKIJYIP-XMMPIXPASA-N -1 0 450.560 4.767 20 0 JJADRM CCCN(C(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001443629077 1066340299 /nfs/dbraw/zinc/34/02/99/1066340299.db2.gz YMAGQDNGMSVWSM-HXUWFJFHSA-N -1 0 456.587 4.563 20 0 JJADRM O=C(Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1)c1cc(Br)c(F)cc1[O-] ZINC001443716629 1066355998 /nfs/dbraw/zinc/35/59/98/1066355998.db2.gz LJLRZJNIXGAQJS-UHFFFAOYSA-N -1 0 455.711 4.826 20 0 JJADRM Cc1ccc([C@H]2CSCCN2C(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1 ZINC001443831035 1066373082 /nfs/dbraw/zinc/37/30/82/1066373082.db2.gz MVFQBVYCAPFAAD-HXUWFJFHSA-N -1 0 458.630 4.788 20 0 JJADRM CCCOc1ccc(O[C@@H]2CCCC[C@@H]2NC(=O)c2nn(-c3cccc(F)c3)cc2[O-])cc1 ZINC001443892839 1066382035 /nfs/dbraw/zinc/38/20/35/1066382035.db2.gz PVWLNMDOFCFDSA-JTHBVZDNSA-N -1 0 453.514 4.626 20 0 JJADRM O=C(N[C@H](Cc1ccccc1)C1CC1)c1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC001443973041 1066389015 /nfs/dbraw/zinc/38/90/15/1066389015.db2.gz FPHZERRNUPHXDB-JOCHJYFZSA-N -1 0 456.514 4.517 20 0 JJADRM COCCCn1c(=O)c2ccc(C(=O)N[C@H](c3ccccc3Cl)C(C)C)cc2[n-]c1=S ZINC001444021596 1066395257 /nfs/dbraw/zinc/39/52/57/1066395257.db2.gz VPXHLCYPIJLVHK-FQEVSTJZSA-N -1 0 459.999 4.502 20 0 JJADRM O=C(NOc1ccccc1F)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC001455475189 1066396059 /nfs/dbraw/zinc/39/60/59/1066396059.db2.gz IGVJJLQQCFORGD-UHFFFAOYSA-N -1 0 455.294 4.657 20 0 JJADRM CC(C)c1nsc(NC(=O)c2cc3ccccc3cc2[N-]S(=O)(=O)c2cccs2)n1 ZINC001455478695 1066396338 /nfs/dbraw/zinc/39/63/38/1066396338.db2.gz DHOBFCQBIAPUNJ-UHFFFAOYSA-N -1 0 458.590 4.929 20 0 JJADRM CC(C)(NC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1[O-])c1cccs1 ZINC001444137357 1066412508 /nfs/dbraw/zinc/41/25/08/1066412508.db2.gz OZOWUCGOTMQNGH-UHFFFAOYSA-N -1 0 450.969 4.573 20 0 JJADRM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC001455821815 1066438879 /nfs/dbraw/zinc/43/88/79/1066438879.db2.gz PZMNBBFRJONIKF-WXRFYESLSA-N -1 0 452.498 4.528 20 0 JJADRM CCCC[C@H](COC)NC(=O)c1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC001444316491 1066447302 /nfs/dbraw/zinc/44/73/02/1066447302.db2.gz CNIGLQDSZGNZAC-QGZVFWFLSA-N -1 0 459.395 4.729 20 0 JJADRM Cc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C\c3ccc(C(C)(C)C)cc3)cc2)s1 ZINC001455935910 1066455246 /nfs/dbraw/zinc/45/52/46/1066455246.db2.gz YDECLAOURVDGRW-AUWJEWJLSA-N -1 0 456.593 4.597 20 0 JJADRM O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC001444412285 1066460054 /nfs/dbraw/zinc/46/00/54/1066460054.db2.gz RLXKPURJHYPIOU-MRXNPFEDSA-N -1 0 458.923 4.779 20 0 JJADRM CCc1ccccc1-n1cc([O-])c(C(=O)N(C)CC2(c3ccc(Br)cc3)CC2)n1 ZINC001444515895 1066471972 /nfs/dbraw/zinc/47/19/72/1066471972.db2.gz WOIQYFIHACVKCH-UHFFFAOYSA-N -1 0 454.368 4.707 20 0 JJADRM CC[C@H](NC(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1)C(C)(C)c1ccccc1 ZINC001444562820 1066476484 /nfs/dbraw/zinc/47/64/84/1066476484.db2.gz SRDSQZMNBWMFBB-NRFANRHFSA-N -1 0 456.633 4.964 20 0 JJADRM CC(=O)c1cc(F)c([O-])c(NC(=O)c2ccc([C@H]3CCCCN3C(=O)OC(C)(C)C)n2C)c1 ZINC001456039795 1066487848 /nfs/dbraw/zinc/48/78/48/1066487848.db2.gz FKOQLJPSVDBMTI-LJQANCHMSA-N -1 0 459.518 4.787 20 0 JJADRM C[C@@H]1CC[C@H](C)N(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(Br)s3)cc2)C1 ZINC001444691078 1066493501 /nfs/dbraw/zinc/49/35/01/1066493501.db2.gz WFIRZMFLUWRHOW-OLZOCXBDSA-N -1 0 457.415 4.572 20 0 JJADRM C[C@@H]1CC[C@@H](C)N(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(Br)s3)cc2)C1 ZINC001444691075 1066493545 /nfs/dbraw/zinc/49/35/45/1066493545.db2.gz WFIRZMFLUWRHOW-CHWSQXEVSA-N -1 0 457.415 4.572 20 0 JJADRM CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC4(C3)CCCCC4)ccc2OC)cc1 ZINC001444695609 1066494557 /nfs/dbraw/zinc/49/45/57/1066494557.db2.gz CZXVLKRRUMTWOG-UHFFFAOYSA-N -1 0 456.608 4.855 20 0 JJADRM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)c2ccc([N-]S(=O)(=O)C(F)(F)F)c(C)c2)cc1 ZINC001444750619 1066501261 /nfs/dbraw/zinc/50/12/61/1066501261.db2.gz LMXTWDXWJRFNFS-ICSRJNTNSA-N -1 0 454.514 4.973 20 0 JJADRM Cc1ccc(O[C@@H](C)CNC(=O)c2ccccc2[N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC001444805086 1066505997 /nfs/dbraw/zinc/50/59/97/1066505997.db2.gz DFGMRXFBKPZPKS-FQEVSTJZSA-N -1 0 452.576 4.610 20 0 JJADRM Cc1nc(C[N-]C(=O)C(F)(F)c2ccc(OC(F)(F)F)c(Br)c2)sc1C ZINC001444811539 1066507688 /nfs/dbraw/zinc/50/76/88/1066507688.db2.gz JLEUFXHCDIJVAX-UHFFFAOYSA-N -1 0 459.234 4.829 20 0 JJADRM CC(C)Oc1cc(Br)cc(NC(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])c1 ZINC001444954805 1066522051 /nfs/dbraw/zinc/52/20/51/1066522051.db2.gz RUSZJILYMPYDFL-UHFFFAOYSA-N -1 0 452.255 4.658 20 0 JJADRM CSc1cccc([C@H](NC(=O)c2cccc(-c3nc(=O)o[n-]3)c2)c2cc(F)ccc2F)c1 ZINC001445011377 1066529905 /nfs/dbraw/zinc/52/99/05/1066529905.db2.gz YTKKCNHBTHBXBA-FQEVSTJZSA-N -1 0 453.470 4.549 20 0 JJADRM O=C(Cc1cc(Cl)cc2ccccc21)Nc1cccc(S(=O)(=O)[N-]c2nccs2)c1 ZINC001445075732 1066536297 /nfs/dbraw/zinc/53/62/97/1066536297.db2.gz AUKXKQSOUZJBIA-UHFFFAOYSA-N -1 0 457.964 4.932 20 0 JJADRM C[C@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c2nccs2)c1)c1ccc(C(F)(F)F)cc1 ZINC001445076076 1066536354 /nfs/dbraw/zinc/53/63/54/1066536354.db2.gz CJNNJVUPVKGHHZ-LBPRGKRZSA-N -1 0 455.483 4.705 20 0 JJADRM CCCCCOC1CN(C(=O)c2cc3ccccc3cc2[N-]S(=O)(=O)c2cccs2)C1 ZINC001445160780 1066541309 /nfs/dbraw/zinc/54/13/09/1066541309.db2.gz ZNBGOUJRMRNEQJ-UHFFFAOYSA-N -1 0 458.605 4.733 20 0 JJADRM CCO[C@@H]1C[C@@H](N(C)C(=O)c2cccc([N-]S(=O)(=O)c3cccs3)c2)C1(CC)CC ZINC001445287031 1066553968 /nfs/dbraw/zinc/55/39/68/1066553968.db2.gz MCWLNEMLZYLOGQ-RTBURBONSA-N -1 0 450.626 4.605 20 0 JJADRM CCS[C@H]1CCC[C@@H](NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2C)C1 ZINC001445336761 1066559005 /nfs/dbraw/zinc/55/90/05/1066559005.db2.gz XQBYFGWTWDNXOG-MSOLQXFVSA-N -1 0 450.601 4.729 20 0 JJADRM C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC001445371429 1066563919 /nfs/dbraw/zinc/56/39/19/1066563919.db2.gz ADNWTCHVQGTBCL-RXVVDRJESA-N -1 0 454.617 4.571 20 0 JJADRM CCO[C@@H](CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C)ccc1C)C1CCCC1 ZINC001445412341 1066568334 /nfs/dbraw/zinc/56/83/34/1066568334.db2.gz ZJQCBTDHRLKIIK-QHCPKHFHSA-N -1 0 458.624 4.819 20 0 JJADRM CCCCCCOc1cc(C)ccc1CNC(=O)c1ccc2c(c1)[n-]c(=S)n(CC)c2=O ZINC001445515178 1066579368 /nfs/dbraw/zinc/57/93/68/1066579368.db2.gz NTXCBPZVWIKVNT-UHFFFAOYSA-N -1 0 453.608 4.903 20 0 JJADRM Cc1cc(C(C)(C)C)cc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CC(=O)CC[C@H]2C)c1C ZINC001456631561 1066652195 /nfs/dbraw/zinc/65/21/95/1066652195.db2.gz BIFUIWNOMMTTEU-QGZVFWFLSA-N -1 0 456.608 4.595 20 0 JJADRM O=C(c1cccc([N-]S(=O)(=O)C(F)(F)F)c1)N(CCc1cccc(F)c1)C1CCCC1 ZINC001446136163 1066664064 /nfs/dbraw/zinc/66/40/64/1066664064.db2.gz GECYILCCBIARPT-UHFFFAOYSA-N -1 0 458.477 4.715 20 0 JJADRM CCCC[C@@H](NC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1[O-])C1CCC1 ZINC001446169814 1066668916 /nfs/dbraw/zinc/66/89/16/1066668916.db2.gz TZALQEPZVXTHRL-HXUWFJFHSA-N -1 0 450.988 4.935 20 0 JJADRM Cc1cc(=O)c(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])nn1-c1ccccc1C(F)(F)F ZINC001446232845 1066676383 /nfs/dbraw/zinc/67/63/83/1066676383.db2.gz QABQPLIIFCDERZ-UHFFFAOYSA-N -1 0 458.223 4.824 20 0 JJADRM C[C@@H](NC(=O)Cc1cccc2cnccc21)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC001446271581 1066682448 /nfs/dbraw/zinc/68/24/48/1066682448.db2.gz IBGRHVOSWDYFSA-MRXNPFEDSA-N -1 0 451.573 4.517 20 0 JJADRM C[C@@H](NC(=O)c1csc(-c2ccco2)n1)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC001446273312 1066683046 /nfs/dbraw/zinc/68/30/46/1066683046.db2.gz MJFQTQIJRKYJHU-CYBMUJFWSA-N -1 0 459.574 4.756 20 0 JJADRM C[C@@H](NC(=O)[C@@H]1CCCc2c(O)cccc21)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC001446278567 1066684584 /nfs/dbraw/zinc/68/45/84/1066684584.db2.gz TYRIBHRZMNORFO-DNVCBOLYSA-N -1 0 456.589 4.552 20 0 JJADRM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)CCCCCn1c(=O)c2ccccc2[n-]c1=S ZINC001446284322 1066685988 /nfs/dbraw/zinc/68/59/88/1066685988.db2.gz VZCIRJVEDXGQGM-SJORKVTESA-N -1 0 453.583 4.919 20 0 JJADRM C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)CCCCCn1c(=O)c2ccccc2[n-]c1=S ZINC001446284318 1066686116 /nfs/dbraw/zinc/68/61/16/1066686116.db2.gz VZCIRJVEDXGQGM-IRXDYDNUSA-N -1 0 453.583 4.919 20 0 JJADRM O=C(Nc1ccc2[nH]c(C(F)(F)C(F)(F)F)nc2c1)c1ccc(Br)cc1[O-] ZINC001446340516 1066693449 /nfs/dbraw/zinc/69/34/49/1066693449.db2.gz QZILPEDOUCFEOO-UHFFFAOYSA-N -1 0 450.161 4.937 20 0 JJADRM O=C(c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1)N1CCc2ccc(F)cc2C1 ZINC001446388018 1066700415 /nfs/dbraw/zinc/70/04/15/1066700415.db2.gz HZHLFHIGHUXIIX-UHFFFAOYSA-N -1 0 450.944 4.540 20 0 JJADRM C[C@H](NC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1)c1cccc(F)c1F ZINC001446397553 1066702135 /nfs/dbraw/zinc/70/21/35/1066702135.db2.gz QBDLUBPGLCIKRE-ZDUSSCGKSA-N -1 0 450.894 4.910 20 0 JJADRM CCn1c(SCC(=O)[N-]OCc2ccc(C(F)(F)F)cc2)nnc1-c1ccccc1C ZINC001446585806 1066724186 /nfs/dbraw/zinc/72/41/86/1066724186.db2.gz RCRAEZCYZDPMEI-UHFFFAOYSA-N -1 0 450.486 4.632 20 0 JJADRM O=C([N-]OCc1ccc(C(F)(F)F)cc1)C1(c2ccc(Br)cc2)CCOCC1 ZINC001446590216 1066724528 /nfs/dbraw/zinc/72/45/28/1066724528.db2.gz YSYZORDEKDPOLW-UHFFFAOYSA-N -1 0 458.274 4.764 20 0 JJADRM O=C(CNC(=O)c1ccc(Br)s1)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC001446690688 1066731396 /nfs/dbraw/zinc/73/13/96/1066731396.db2.gz IUXGSKKDVMKVMW-UHFFFAOYSA-N -1 0 458.548 4.545 20 0 JJADRM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2CC=C(c3ccccc3)C2)ccc1Cl ZINC001446739444 1066735364 /nfs/dbraw/zinc/73/53/64/1066735364.db2.gz ISHRVAZIPVZWNO-UHFFFAOYSA-N -1 0 452.963 4.989 20 0 JJADRM CC(=O)c1ccc([O-])c(NC(=O)CCN(C)C(=O)OCC2c3ccccc3-c3ccccc32)c1 ZINC001447018669 1066766806 /nfs/dbraw/zinc/76/68/06/1066766806.db2.gz CJFZYXZJLOLGTO-UHFFFAOYSA-N -1 0 458.514 4.804 20 0 JJADRM CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c1 ZINC001447112771 1066774951 /nfs/dbraw/zinc/77/49/51/1066774951.db2.gz WJUQOHWMISEQHL-UHFFFAOYSA-N -1 0 451.759 4.635 20 0 JJADRM O=C(NC[C@@H]1C[C@H]1Cc1ccccc1)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC001457208160 1066790355 /nfs/dbraw/zinc/79/03/55/1066790355.db2.gz LFACVIRXSUADIL-MOPGFXCFSA-N -1 0 454.979 4.749 20 0 JJADRM C[C@H](Oc1ccc(C(=O)N[C@H](c2nnn[n-]2)c2ccc(Cl)c(F)c2)cc1)c1ccccc1 ZINC001447445348 1066810408 /nfs/dbraw/zinc/81/04/08/1066810408.db2.gz HOTHRZGZDBZMJG-QKKBWIMNSA-N -1 0 451.889 4.652 20 0 JJADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCO[C@H](c4ccc(C(F)(F)F)cc4)C3)n2)c1 ZINC001447634418 1066833042 /nfs/dbraw/zinc/83/30/42/1066833042.db2.gz OOPQLQJQYUTHHX-NRFANRHFSA-N -1 0 459.468 4.934 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N(C)c2ccc(OC(C)C)cc2)c1 ZINC001447696141 1066844092 /nfs/dbraw/zinc/84/40/92/1066844092.db2.gz YQRVKDZNPJHWQZ-UHFFFAOYSA-N -1 0 454.548 4.560 20 0 JJADRM COc1ccc(NC(=O)[C@@H]2[C@@H](C)[C@@H]2c2ccccc2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC001457504094 1066844753 /nfs/dbraw/zinc/84/47/53/1066844753.db2.gz MGCRODMPRMBLMQ-WADWEFIESA-N -1 0 454.523 4.623 20 0 JJADRM CC(C)(C)N1CC[C@H]1C(=O)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC001457505218 1066845363 /nfs/dbraw/zinc/84/53/63/1066845363.db2.gz UFOSTABJQPZZDA-KRWDZBQOSA-N -1 0 456.395 4.606 20 0 JJADRM O=C(Nc1cc(-c2cccc(Cl)c2)[nH]n1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC001457575295 1066868566 /nfs/dbraw/zinc/86/85/66/1066868566.db2.gz OLLLBLFSVMSGKQ-UHFFFAOYSA-N -1 0 458.952 4.845 20 0 JJADRM COC(=O)Cc1ccc(NC(=O)c2nn(-c3cc(Cl)c(Cl)cc3Cl)cc2[O-])cc1 ZINC001457575454 1066869049 /nfs/dbraw/zinc/86/90/49/1066869049.db2.gz LCYMJJWGXWZKGK-UHFFFAOYSA-N -1 0 454.697 4.506 20 0 JJADRM COc1ccc(CC(C)(C)NC(=O)c2cc(Br)c([O-])c(Br)c2)cc1 ZINC001447861068 1066870742 /nfs/dbraw/zinc/87/07/42/1066870742.db2.gz BLECURCZRXKHDU-UHFFFAOYSA-N -1 0 457.162 4.677 20 0 JJADRM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCC3(C)CCCC3)ccc2Cl)cc1 ZINC001457625552 1066884261 /nfs/dbraw/zinc/88/42/61/1066884261.db2.gz YNXLLXRVFJZCSP-UHFFFAOYSA-N -1 0 450.988 4.850 20 0 JJADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCc3cccc(NC(=O)OC(C)(C)C)c32)n1 ZINC001448031396 1066892755 /nfs/dbraw/zinc/89/27/55/1066892755.db2.gz QSRSEJROOSLSPD-UHFFFAOYSA-N -1 0 452.486 4.575 20 0 JJADRM CCOC(=O)[C@@H](Cc1cccc2ccccc21)NC(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC001448047434 1066893315 /nfs/dbraw/zinc/89/33/15/1066893315.db2.gz JPHFMPCMHJTMNG-HSZRJFAPSA-N -1 0 457.482 4.522 20 0 JJADRM CC[C@H](C)n1nc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3OC)c2)cc1C ZINC001457722772 1066904697 /nfs/dbraw/zinc/90/46/97/1066904697.db2.gz QLZXDBPHRKGICQ-INIZCTEOSA-N -1 0 456.568 4.533 20 0 JJADRM CC(C)[C@@H](NC(=O)c1ccc(-n2[n-]c(Cc3ccccc3)cc2=O)cc1)[C@H](O)c1ccccc1 ZINC001457779999 1066918412 /nfs/dbraw/zinc/91/84/12/1066918412.db2.gz NWAHJOKZJFQTKN-KAYWLYCHSA-N -1 0 455.558 4.510 20 0 JJADRM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)[C@H](C)CSc1ccc(F)cc1 ZINC001457788629 1066920673 /nfs/dbraw/zinc/92/06/73/1066920673.db2.gz MYIGKVBBWIPZFR-GCJKJVERSA-N -1 0 455.599 4.793 20 0 JJADRM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1sc2ncccc2c1Cl ZINC001457791107 1066921910 /nfs/dbraw/zinc/92/19/10/1066921910.db2.gz SWAMWLBLJPUTPB-MRXNPFEDSA-N -1 0 454.983 4.803 20 0 JJADRM CCn1c(=O)c2ccc(C(=O)Nc3ccc(Oc4nc(C)cs4)c(F)c3)cc2[n-]c1=S ZINC001448490981 1066932828 /nfs/dbraw/zinc/93/28/28/1066932828.db2.gz YMRIFNPSRDDYAI-UHFFFAOYSA-N -1 0 456.524 4.654 20 0 JJADRM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H]3CS[C@@H](C)C3)c(Cl)cc2Cl)c1 ZINC001457860276 1066932891 /nfs/dbraw/zinc/93/28/91/1066932891.db2.gz JNKWCMIFQGPCAQ-GXTWGEPZSA-N -1 0 459.420 4.726 20 0 JJADRM O=C(c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1)N1CC[C@H](c2cccc(F)c2)C1 ZINC001448648593 1066946422 /nfs/dbraw/zinc/94/64/22/1066946422.db2.gz MABBKHRDGMVVOT-KRWDZBQOSA-N -1 0 458.942 4.910 20 0 JJADRM Cc1cc(-n2cccn2)ccc1NC(=O)c1cc(Br)cc(Br)c1[O-] ZINC001448866761 1066965640 /nfs/dbraw/zinc/96/56/40/1066965640.db2.gz FGLPZKPIZSPQHR-UHFFFAOYSA-N -1 0 451.118 4.664 20 0 JJADRM Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)Nc1cc(Cl)c([O-])cc1F ZINC001449197772 1066988816 /nfs/dbraw/zinc/98/88/16/1066988816.db2.gz DCUOQFZXBNDMRR-UHFFFAOYSA-N -1 0 452.866 4.685 20 0 JJADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCC=C(c3ccccc3)C2)ccc1F ZINC001449277013 1066995049 /nfs/dbraw/zinc/99/50/49/1066995049.db2.gz HJEJLNLMHAPIAG-UHFFFAOYSA-N -1 0 450.535 4.864 20 0 JJADRM O=C(Nc1ncc(-c2cccnc2)s1)c1cc(Br)cc(Br)c1[O-] ZINC001449284145 1066995442 /nfs/dbraw/zinc/99/54/42/1066995442.db2.gz ZHODNUJGJPKMIC-UHFFFAOYSA-N -1 0 455.131 4.688 20 0 JJADRM O=C(Nc1ncc(-c2ccccn2)s1)c1cc(Br)c([O-])c(Br)c1 ZINC001449283390 1066995514 /nfs/dbraw/zinc/99/55/14/1066995514.db2.gz UGOBNOGJIZOOMA-UHFFFAOYSA-N -1 0 455.131 4.688 20 0 JJADRM O=C(c1cccc(I)c1[O-])N1CCC([C@@H](F)c2ccccc2F)CC1 ZINC001449295711 1066996350 /nfs/dbraw/zinc/99/63/50/1066996350.db2.gz JRWCJHQELVJBBJ-QGZVFWFLSA-N -1 0 457.258 4.699 20 0 JJADRM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCc2cc3ccccc3[nH]2)ccc1Cl ZINC001449442268 1067009539 /nfs/dbraw/zinc/00/95/39/1067009539.db2.gz BIFRNFDHXCLCRA-UHFFFAOYSA-N -1 0 453.951 4.861 20 0 JJADRM CCCc1ncc(CNC(=O)c2cc3ccccc3cc2[N-]S(=O)(=O)c2cccs2)o1 ZINC001449473404 1067011038 /nfs/dbraw/zinc/01/10/38/1067011038.db2.gz UQYPYJVOLRQSRW-UHFFFAOYSA-N -1 0 455.561 4.573 20 0 JJADRM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)c2c[nH]c3cccc(Br)c23)c1 ZINC001449478216 1067011278 /nfs/dbraw/zinc/01/12/78/1067011278.db2.gz YMLOETAMQMEERP-UHFFFAOYSA-N -1 0 454.246 4.670 20 0 JJADRM COc1cccc(S([O-])=CC(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3s2)c1 ZINC001449605406 1067017544 /nfs/dbraw/zinc/01/75/44/1067017544.db2.gz NEOFZFGUZYROFD-UKPGIYTDSA-N -1 0 450.585 4.513 20 0 JJADRM O=C(NCc1ccnc(C(F)(F)F)c1)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC001449830418 1067030786 /nfs/dbraw/zinc/03/07/86/1067030786.db2.gz IUCXZVKRVSQMRJ-UHFFFAOYSA-N -1 0 455.845 4.703 20 0 JJADRM CC[C@H](C)[C@H](CNC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1)OC ZINC001449917807 1067037266 /nfs/dbraw/zinc/03/72/66/1067037266.db2.gz ONOYJVFRFUUAMZ-UGSOOPFHSA-N -1 0 459.395 4.585 20 0 JJADRM O=Cc1ccc(-c2ccc(C(=O)N3CC[C@@H](Cc4ccc(Br)cc4)C3)c([O-])c2)o1 ZINC001450079479 1067047862 /nfs/dbraw/zinc/04/78/62/1067047862.db2.gz ZCJUJFLRBINFFZ-INIZCTEOSA-N -1 0 454.320 4.932 20 0 JJADRM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)NC[C@H]1CSc2ccccc21 ZINC001450106196 1067049442 /nfs/dbraw/zinc/04/94/42/1067049442.db2.gz HHCAHKSAFGGZQX-INIZCTEOSA-N -1 0 456.564 4.554 20 0 JJADRM O=Cc1ccc(-c2ccc(C(=O)NC3(Cc4ccc(F)cc4Cl)CCOCC3)c([O-])c2)o1 ZINC001450407325 1067077531 /nfs/dbraw/zinc/07/75/31/1067077531.db2.gz GVKDLXQGSKKBNW-UHFFFAOYSA-N -1 0 457.885 4.779 20 0 JJADRM CCN(C(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC)c1)C1CC(C)(C)C1 ZINC001451369743 1067161352 /nfs/dbraw/zinc/16/13/52/1067161352.db2.gz MQXSGIOFHDHFPB-UHFFFAOYSA-N -1 0 450.988 4.800 20 0 JJADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)NCC(C)(C)OCC2CC2)c1C ZINC001451575307 1067179273 /nfs/dbraw/zinc/17/92/73/1067179273.db2.gz MRSSZLDVCHJCOX-UHFFFAOYSA-N -1 0 458.624 4.656 20 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CC(C)(C)OC(=O)[C@H]1C[C@@H](NC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])c2ccccc21 ZINC001452746724 1067248145 /nfs/dbraw/zinc/24/81/45/1067248145.db2.gz SKBGQVBAFDPOMP-RBUKOAKNSA-N -1 0 453.926 4.531 20 0 JJADRM Cc1ccc2c(c1)CN(C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c3ccc(F)cc3)c1)CC2 ZINC001452977480 1067270186 /nfs/dbraw/zinc/27/01/86/1067270186.db2.gz NEKLWTFRJBUWJG-UHFFFAOYSA-N -1 0 458.942 4.787 20 0 JJADRM Cc1[nH]c2ccc(C(=O)N3CC[C@@H](c4cccc(F)c4)[C@@H]([N-]C(=O)C(F)(F)F)C3)cc2c1C ZINC001452990861 1067271214 /nfs/dbraw/zinc/27/12/14/1067271214.db2.gz LFVYFGWKLSNUHT-RXVVDRJESA-N -1 0 461.459 4.601 20 0 JJADRM O=C(NOc1ccc(F)cc1)c1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC001453034249 1067274956 /nfs/dbraw/zinc/27/49/56/1067274956.db2.gz UWQVZSCEVKQIMF-UHFFFAOYSA-N -1 0 455.294 4.657 20 0 JJADRM O=C([N-][C@H]1CN(C(=O)c2cc(-c3ccccc3)ccn2)CC[C@H]1c1ccc(F)cc1)C(F)(F)F ZINC001453131459 1067282523 /nfs/dbraw/zinc/28/25/23/1067282523.db2.gz QACSJSXNNYAQBJ-UNMCSNQZSA-N -1 0 471.454 4.565 20 0 JJADRM Cc1ccc(-n2[n-]c(C(=O)NC3(c4ccc(Br)cc4)CCCCC3)cc2=O)cc1 ZINC001453335004 1067298528 /nfs/dbraw/zinc/29/85/28/1067298528.db2.gz LQZYPNGHLOOMDK-UHFFFAOYSA-N -1 0 454.368 4.826 20 0 JJADRM CC1(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2[O-])CCC(F)(F)CC1 ZINC001453468834 1067307089 /nfs/dbraw/zinc/30/70/89/1067307089.db2.gz FTZWCYZISYRTDL-UHFFFAOYSA-N -1 0 458.914 4.544 20 0 JJADRM O=C([N-][C@H]1CN(C(=O)c2csc(-c3ccccc3)n2)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC001461416593 1067850887 /nfs/dbraw/zinc/85/08/87/1067850887.db2.gz FBGOKWAMYHOYTL-ROUUACIJSA-N -1 0 477.483 4.626 20 0 JJADRM O=C([N-][C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC001461417589 1067851193 /nfs/dbraw/zinc/85/11/93/1067851193.db2.gz HYCXDPREDFBXRJ-HAGHYFMRSA-N -1 0 468.878 4.646 20 0 JJADRM O=C([N-][C@H]1CN(C(=O)C2(Cc3cccc(F)c3)CCC2)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC001461419853 1067852314 /nfs/dbraw/zinc/85/23/14/1067852314.db2.gz QFYRVRHCRDXKJI-SFTDATJTSA-N -1 0 480.477 4.741 20 0 JJADRM CC(C)(C)c1ccc(C(=O)N2C[C@@H]([N-]C(=O)C(F)(F)F)CC[C@H]2C(F)(F)F)cc1Cl ZINC001461578595 1067892715 /nfs/dbraw/zinc/89/27/15/1067892715.db2.gz VLRPXPYATOZLNZ-FZMZJTMJSA-N -1 0 458.830 4.852 20 0 JJADRM C[C@@H](CN1C[C@H]([N-]C(=O)C(F)(F)F)CC[C@H]1C(F)(F)F)c1cccc(Br)c1 ZINC001462378815 1068063072 /nfs/dbraw/zinc/06/30/72/1068063072.db2.gz FCJXLKXEKGZUTD-GDLCADMTSA-N -1 0 461.244 4.626 20 0 JJADRM CCOc1c(Cl)cccc1CN1CC[C@@H](c2ccc(F)cc2)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001462426927 1068072400 /nfs/dbraw/zinc/07/24/00/1068072400.db2.gz MDXYYXQKEAONSK-HKUYNNGSSA-N -1 0 458.883 4.914 20 0 JJADRM C[C@H](CC(=O)N(C)Cc1ccccc1Cl)Nc1cc(F)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC001462482207 1068082360 /nfs/dbraw/zinc/08/23/60/1068082360.db2.gz BLBKUHSGRRETNW-CYBMUJFWSA-N -1 0 459.871 4.507 20 0 JJADRM O=C1CCC[C@H](c2cccc(NCc3cc(Br)c([O-])c(Br)c3)c2)N1 ZINC001462589044 1068105790 /nfs/dbraw/zinc/10/57/90/1068105790.db2.gz LEFJNWYBBOVKBP-MRXNPFEDSA-N -1 0 454.162 4.871 20 0 JJADRM O=S(=O)(N=[S@@](=O)(c1ccccc1)C(F)(F)F)[N-][C@H](c1ccc(Cl)cc1)C1CC1 ZINC001462734532 1068147691 /nfs/dbraw/zinc/14/76/91/1068147691.db2.gz RKXRTRAALQLONC-RKOGDMNLSA-N -1 0 452.907 4.672 20 0 JJADRM Cc1nc(S(=O)(=O)[N-][C@@H](c2ccccc2)c2cccc(Cl)c2)sc1Br ZINC001462855050 1068192530 /nfs/dbraw/zinc/19/25/30/1068192530.db2.gz SVZBJCRHIKDCQO-HNNXBMFYSA-N -1 0 457.802 4.935 20 0 JJADRM O=S(=O)([N-]Cc1ccccc1Oc1ccccc1)c1cc(F)c(Br)cc1F ZINC001462953288 1068227574 /nfs/dbraw/zinc/22/75/74/1068227574.db2.gz RIFHEUQHCIDRSZ-UHFFFAOYSA-N -1 0 454.292 4.998 20 0 JJADRM C[S@@](=O)(=NS(=O)(=O)[N-]Cc1ccc(-c2ccc(Cl)cc2)cc1F)c1ccccc1 ZINC001463290981 1068346323 /nfs/dbraw/zinc/34/63/23/1068346323.db2.gz CHSUPEBYRZCQDS-NDEPHWFRSA-N -1 0 452.960 4.637 20 0 JJADRM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(OC)c(Cl)c3Cl)n2)cc1 ZINC001463321309 1068355614 /nfs/dbraw/zinc/35/56/14/1068355614.db2.gz BNYQWCWIUCITBC-LLVKDONJSA-N -1 0 456.351 4.654 20 0 JJADRM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H](C)C2(c3ccccc3)CCCC2)c(F)c1Cl ZINC001463537376 1068433202 /nfs/dbraw/zinc/43/32/02/1068433202.db2.gz HSMWXMGECCLJNW-CYBMUJFWSA-N -1 0 456.942 4.755 20 0 JJADRM O=C(Nc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1)c1conc1C1CC1 ZINC001463564226 1068445776 /nfs/dbraw/zinc/44/57/76/1068445776.db2.gz YNIAQBKWUQKEQS-UHFFFAOYSA-N -1 0 452.319 4.912 20 0 JJADRM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccoc3C3CC3)ccc2OC)cc1 ZINC001463698625 1068497820 /nfs/dbraw/zinc/49/78/20/1068497820.db2.gz HHXYMEKWVAEJDE-UHFFFAOYSA-N -1 0 456.520 4.617 20 0 JJADRM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3c(C)cc(C)cc3C)ccc2OC)cc1 ZINC001463697819 1068497831 /nfs/dbraw/zinc/49/78/31/1068497831.db2.gz CLRZYZWNBLJFIU-UHFFFAOYSA-N -1 0 454.548 4.682 20 0 JJADRM O=C(NCCCOC1CCCCC1)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC001463761115 1068516089 /nfs/dbraw/zinc/51/60/89/1068516089.db2.gz DZXAKVYYSTXNDF-UHFFFAOYSA-N -1 0 450.988 4.610 20 0 JJADRM Cc1csc([C@H]([N-]S(=O)(=O)c2oc3ccccc3c2Br)C(F)(F)F)n1 ZINC001463792080 1068525223 /nfs/dbraw/zinc/52/52/23/1068525223.db2.gz HLZCCHBHTLNGIF-NSHDSACASA-N -1 0 455.277 4.542 20 0 JJADRM CCOc1ccc([C@@H]2CCCN2C(=O)c2ccc([N-]S(=O)(=O)C(F)(F)F)c(C)c2)cc1 ZINC001463806828 1068531869 /nfs/dbraw/zinc/53/18/69/1068531869.db2.gz GADNQDPEDKWYCN-IBGZPJMESA-N -1 0 456.486 4.633 20 0 JJADRM C[C@H](NC(=O)c1ccccc1[N-]S(=O)(=O)C(F)(F)F)c1cc(F)c(Cl)cc1Cl ZINC001463826305 1068538052 /nfs/dbraw/zinc/53/80/52/1068538052.db2.gz CMJPXLJUOMEZPM-QMMMGPOBSA-N -1 0 459.248 4.885 20 0 JJADRM O=C(Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1F)c1nc(Cl)ccc1F ZINC001464087550 1068610447 /nfs/dbraw/zinc/61/04/47/1068610447.db2.gz JCLORJAGPPHVHC-UHFFFAOYSA-N -1 0 458.273 4.720 20 0 JJADRM CC(C)Oc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1Cl ZINC001464122075 1068622442 /nfs/dbraw/zinc/62/24/42/1068622442.db2.gz PADUTBZTQDLYHX-UHFFFAOYSA-N -1 0 451.957 4.637 20 0 JJADRM O=C(NCc1cccc(Oc2ccccc2)c1)c1cccc([N-]S(=O)(=O)C(F)(F)F)c1 ZINC001464182219 1068645741 /nfs/dbraw/zinc/64/57/41/1068645741.db2.gz XDIIDFLTOHHOQN-UHFFFAOYSA-N -1 0 450.438 4.670 20 0 JJADRM O=C(Nc1cccc(OC(F)F)c1)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC001464216844 1068661128 /nfs/dbraw/zinc/66/11/28/1068661128.db2.gz XWACQTVAAFLXRM-UHFFFAOYSA-N -1 0 452.866 4.995 20 0 JJADRM COc1ccc(F)cc1[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC001464260027 1068679224 /nfs/dbraw/zinc/67/92/24/1068679224.db2.gz TYMHZWIJPFZERW-QGZVFWFLSA-N -1 0 456.539 4.743 20 0 JJADRM CCC(C)(C)NC(=O)c1ccc(NC(=O)c2nn(-c3cc(C)ccc3F)cc2[O-])cc1Cl ZINC001464318213 1068703791 /nfs/dbraw/zinc/70/37/91/1068703791.db2.gz FBKYCYIQNBJYHH-UHFFFAOYSA-N -1 0 458.921 4.850 20 0 JJADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N(C)CCCOc2ccccc2C)cc1 ZINC001464345357 1068714049 /nfs/dbraw/zinc/71/40/49/1068714049.db2.gz XMSZDVDIPDKZAQ-UHFFFAOYSA-N -1 0 452.576 4.645 20 0 JJADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2cc(Cl)c(N)c(Cl)c2)cc1 ZINC001464371934 1068721529 /nfs/dbraw/zinc/72/15/29/1068721529.db2.gz OVYNDCKNIIQWQQ-UHFFFAOYSA-N -1 0 450.347 4.937 20 0 JJADRM O=C(NCC1(c2ccc(Cl)cc2)CCCC1)c1cccc(I)c1[O-] ZINC001464438904 1068746088 /nfs/dbraw/zinc/74/60/88/1068746088.db2.gz RTNGYPNWVKECFB-UHFFFAOYSA-N -1 0 455.723 4.892 20 0 JJADRM CCCN(C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-])[C@@H](C)c1cc2ccccc2o1 ZINC001464450250 1068749938 /nfs/dbraw/zinc/74/99/38/1068749938.db2.gz KQPCSQNLLFNDRW-KRWDZBQOSA-N -1 0 456.564 4.536 20 0 JJADRM COc1ccc(-n2cc([O-])c(C(=O)NCc3nc(-c4ccc(Cl)cc4)c(C)s3)n2)cc1 ZINC001464452736 1068751227 /nfs/dbraw/zinc/75/12/27/1068751227.db2.gz QXDJUYXRZUIGSE-UHFFFAOYSA-N -1 0 454.939 4.602 20 0 JJADRM O=S(=O)([N-]C[C@@H]1[C@@H](c2ccccc2)C1(F)F)c1cc(Cl)c(Br)cc1F ZINC001464478749 1068760927 /nfs/dbraw/zinc/76/09/27/1068760927.db2.gz UGAJSNCXHCPGGO-MEBBXXQBSA-N -1 0 454.695 4.569 20 0 JJADRM CCCCOc1ncccc1CNC(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC001464480148 1068761393 /nfs/dbraw/zinc/76/13/93/1068761393.db2.gz CMMMGVYQZWTLSJ-UHFFFAOYSA-N -1 0 459.955 4.863 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N(C2CC2)C2CCC(C)CC2)c1 ZINC001464515885 1068770621 /nfs/dbraw/zinc/77/06/21/1068770621.db2.gz RVEZSYKTYZAPAF-UHFFFAOYSA-N -1 0 456.608 4.988 20 0 JJADRM COc1ccc(N(C)C(=O)c2nn(-c3ccc(Cl)cc3C(F)(F)F)cc2[O-])cc1OC ZINC001464617252 1068800848 /nfs/dbraw/zinc/80/08/48/1068800848.db2.gz UFLYHTKROQZKGC-UHFFFAOYSA-N -1 0 455.820 4.544 20 0 JJADRM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccco4)nc4ccccc43)cc2)nc(C)n1 ZINC000003244542 194249775 /nfs/dbraw/zinc/24/97/75/194249775.db2.gz TVDKNZIXDRFMHS-UHFFFAOYSA-N -1 0 499.552 4.955 20 0 JJADRM C[C@@H](NC(=O)Cc1cncc2ccccc21)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC001545853409 1064262696 /nfs/dbraw/zinc/26/26/96/1064262696.db2.gz LSYIOHMFUUVJTF-MRXNPFEDSA-N -1 0 451.573 4.517 20 0 JJADRM Cc1cc(C(=O)N[C@@H](C)c2ccccc2[N-]S(=O)(=O)c2cccs2)c(C)n1CC1CC1 ZINC001545854051 1064263740 /nfs/dbraw/zinc/26/37/40/1064263740.db2.gz ZPYXFARVYZSGHK-INIZCTEOSA-N -1 0 457.621 4.868 20 0 JJADRM CCN(Cc1cccc(-c2ccncc2)c1)C(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O ZINC001435331278 1064702779 /nfs/dbraw/zinc/70/27/79/1064702779.db2.gz CVHQSMUYIDAJOV-UHFFFAOYSA-N -1 0 459.571 4.936 20 0 JJADRM CCCc1c(C(=O)Nc2cc(C)cc(C[N-]C(=O)C(F)(F)F)c2)cnn1-c1ccccc1C ZINC001436239465 1065272049 /nfs/dbraw/zinc/27/20/49/1065272049.db2.gz BTYVDXQEQCLZGG-UHFFFAOYSA-N -1 0 458.484 4.872 20 0 JJADRM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)c2ccc(OC(F)(F)F)c(Cl)c2)c1 ZINC001436242931 1065272382 /nfs/dbraw/zinc/27/23/82/1065272382.db2.gz QTJLALZKKZJULH-UHFFFAOYSA-N -1 0 454.754 4.978 20 0 JJADRM CCc1ncsc1NC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccccc1Cl)c2=O ZINC001545902949 1065471894 /nfs/dbraw/zinc/47/18/94/1065471894.db2.gz DFOKOHRAYKSCJL-UHFFFAOYSA-N -1 0 456.980 4.658 20 0 JJADRM O=C([N-][C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2cc(OCc3ccccc3)cs2)C1)C(F)(F)F ZINC001437132503 1065511278 /nfs/dbraw/zinc/51/12/78/1065511278.db2.gz LOGIEEXEPLZSEF-CJNGLKHVSA-N -1 0 480.430 4.541 20 0 JJADRM O=C(Cc1ccc(C2CCCCC2)cc1)N1C[C@H]([N-]C(=O)C(F)(F)F)CC[C@H]1C(F)(F)F ZINC001437132602 1065511458 /nfs/dbraw/zinc/51/14/58/1065511458.db2.gz MGGSTVQGLMWKOW-MSOLQXFVSA-N -1 0 464.450 4.877 20 0 JJADRM O=C([N-][C@H]1CN(C(=O)c2ccc(Cl)cc2Cl)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC001437472739 1065558090 /nfs/dbraw/zinc/55/80/90/1065558090.db2.gz FLSXHSFRSIXQOX-YOEHRIQHSA-N -1 0 463.258 4.809 20 0 JJADRM O=C([N-][C@H]1CC[C@@H](C(F)(F)F)N(C(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)C1)C(F)(F)F ZINC001437707594 1065594417 /nfs/dbraw/zinc/59/44/17/1065594417.db2.gz YBKIREFDMXRCRP-NBMRYCAZSA-N -1 0 458.402 4.544 20 0 JJADRM Cc1noc(C)c1[C@@H](C)[N-]C(=O)C(F)(F)c1ccc(OC(F)(F)F)c(Br)c1 ZINC001360629994 1065677343 /nfs/dbraw/zinc/67/73/43/1065677343.db2.gz UYKJHROVXMIIFS-SSDOTTSWSA-N -1 0 457.193 4.922 20 0 JJADRM O=C([N-]Cc1cc(F)cc(NC(=O)c2ccc(Oc3ccccc3F)nc2)c1)C(F)(F)F ZINC001438208882 1065696218 /nfs/dbraw/zinc/69/62/18/1065696218.db2.gz MTDBOMOPKRATLF-UHFFFAOYSA-N -1 0 451.351 4.583 20 0 JJADRM CCOC(=O)c1nc(NC(=O)[C@@H](Sc2ccc(F)c(F)c2)c2ccccc2)[n-]c1Cl ZINC001439498938 1065835309 /nfs/dbraw/zinc/83/53/09/1065835309.db2.gz NMUBIDDAXNSLJE-INIZCTEOSA-N -1 0 451.882 4.990 20 0 JJADRM C[C@@H]1CCN(C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001440198683 1065923121 /nfs/dbraw/zinc/92/31/21/1065923121.db2.gz DKRACDNFGIWPFN-RNCFNFMXSA-N -1 0 466.312 4.646 20 0 JJADRM C[C@H](CC(=O)Nc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1)[C@@H]1CCCO1 ZINC001440380182 1065934835 /nfs/dbraw/zinc/93/48/35/1065934835.db2.gz PTQXADDSJCULJZ-ACJLOTCBSA-N -1 0 457.379 4.938 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)/C=C\CCc2ccccc2)ccc1C ZINC001440483881 1065942914 /nfs/dbraw/zinc/94/29/14/1065942914.db2.gz KFLULIHOYBJVLG-DHDCSXOGSA-N -1 0 450.560 4.932 20 0 JJADRM COc1ccc(NC(=O)Cc2ccsc2C)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC001440590863 1065952671 /nfs/dbraw/zinc/95/26/71/1065952671.db2.gz CHTZWLRLFWXXAF-UHFFFAOYSA-N -1 0 450.969 4.701 20 0 JJADRM COc1ccc(NC(=O)[C@H](C)CC(F)(F)F)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC001440594985 1065953042 /nfs/dbraw/zinc/95/30/42/1065953042.db2.gz JNHVMLXLCIFLIK-LLVKDONJSA-N -1 0 450.866 4.676 20 0 JJADRM O=C(NCc1cccc(Cl)c1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC001440715670 1065970819 /nfs/dbraw/zinc/97/08/19/1065970819.db2.gz YZEBXOLTPSZHII-UHFFFAOYSA-N -1 0 453.322 4.863 20 0 JJADRM COc1c(Br)cc(Cl)cc1NC(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC001440898061 1065991969 /nfs/dbraw/zinc/99/19/69/1065991969.db2.gz OBVUKAHZIMRGFN-UHFFFAOYSA-N -1 0 458.646 4.533 20 0 JJADRM O=C(CSc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1)[N-]OCc1ccccc1 ZINC001440903385 1065992953 /nfs/dbraw/zinc/99/29/53/1065992953.db2.gz QUZMHAQJALRCRC-UHFFFAOYSA-N -1 0 454.939 4.580 20 0 JJADRM Cc1nc(CCC(=O)Nc2cc(Cl)ccc2[N-]S(=O)(=O)c2ccccc2F)cs1 ZINC001441187310 1066012962 /nfs/dbraw/zinc/01/29/62/1066012962.db2.gz KRWKVGZUMMSVNC-UHFFFAOYSA-N -1 0 453.948 4.616 20 0 JJADRM CC(=O)Nc1cc(NC(=O)c2nn(-c3ccc(Cl)cc3C(F)(F)F)cc2[O-])ccc1C ZINC001441462494 1066042558 /nfs/dbraw/zinc/04/25/58/1066042558.db2.gz CVQFDHCMPGJHPM-UHFFFAOYSA-N -1 0 452.820 4.769 20 0 JJADRM CCSc1ccccc1CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cccs2)c1 ZINC001441543992 1066049156 /nfs/dbraw/zinc/04/91/56/1066049156.db2.gz DCPDEOCDRNWNFE-UHFFFAOYSA-N -1 0 450.582 4.981 20 0 JJADRM O=C(NCC1CCCCCCC1)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1[O-] ZINC001441885464 1066077718 /nfs/dbraw/zinc/07/77/18/1066077718.db2.gz NSTDMJLZQFYQSH-UHFFFAOYSA-N -1 0 450.988 4.937 20 0 JJADRM Cc1c(Br)csc1C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC001442370448 1066120939 /nfs/dbraw/zinc/12/09/39/1066120939.db2.gz AKGUQWVDVOWWHB-UHFFFAOYSA-N -1 0 451.367 4.872 20 0 JJADRM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1cccc(OCC(F)(F)F)c1 ZINC001442375247 1066121432 /nfs/dbraw/zinc/12/14/32/1066121432.db2.gz KTMYYHSVUVYGDN-UHFFFAOYSA-N -1 0 450.438 4.681 20 0 JJADRM Cc1[nH]c2ccc(CNC(=O)c3sccc3S(=O)(=O)[N-]c3ccc(C)cc3)cc2c1C ZINC001442410141 1066125778 /nfs/dbraw/zinc/12/57/78/1066125778.db2.gz UZJROLCOHKCEOC-UHFFFAOYSA-N -1 0 453.589 4.885 20 0 JJADRM O=C(NCCN1CCCc2ccccc21)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC001442724070 1066155706 /nfs/dbraw/zinc/15/57/06/1066155706.db2.gz RQOTZEFGJKFWMX-UHFFFAOYSA-N -1 0 455.967 4.542 20 0 JJADRM C[C@@H]1CCCC[C@H]1CNC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccccc1Cl)c2=O ZINC001442748541 1066156848 /nfs/dbraw/zinc/15/68/48/1066156848.db2.gz MBRPLKOMNCCPID-WBVHZDCISA-N -1 0 456.011 4.943 20 0 JJADRM O=C(Nc1cc(-n2cccc2)ccc1F)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC001442869547 1066234560 /nfs/dbraw/zinc/23/45/60/1066234560.db2.gz OMFJHIROPORQNY-UHFFFAOYSA-N -1 0 453.470 4.809 20 0 JJADRM Cc1ccccc1C1(CNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC001442938188 1066243811 /nfs/dbraw/zinc/24/38/11/1066243811.db2.gz WVJMMLYNTMSOMK-UHFFFAOYSA-N -1 0 456.514 4.536 20 0 JJADRM CC(C)(C)n1c2ccccc2nc1NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC001442966950 1066247853 /nfs/dbraw/zinc/24/78/53/1066247853.db2.gz MHJUBCDINCGRTQ-UHFFFAOYSA-N -1 0 454.577 4.906 20 0 JJADRM CC[C@@H](Cc1ccccc1)NC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1[O-] ZINC001443069945 1066262541 /nfs/dbraw/zinc/26/25/41/1066262541.db2.gz XRINBWRBDRQWDM-SFHVURJKSA-N -1 0 458.967 4.598 20 0 JJADRM O=C(NCc1ccnc2ccccc12)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC001454297605 1066266314 /nfs/dbraw/zinc/26/63/14/1066266314.db2.gz RNVCZVHJZLJHAX-UHFFFAOYSA-N -1 0 457.964 4.681 20 0 JJADRM COc1ccccc1[C@H]1CCCN1C(=O)c1cc(Br)c([O-])c(Br)c1 ZINC001443097278 1066266851 /nfs/dbraw/zinc/26/68/51/1066266851.db2.gz JMJDPXDENXTXLY-OAHLLOKOSA-N -1 0 455.146 4.903 20 0 JJADRM CCS(=O)(=O)[N-]c1ccccc1C(=O)N[C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC001443215025 1066280826 /nfs/dbraw/zinc/28/08/26/1066280826.db2.gz NLVVEVVTAICZOF-KRWDZBQOSA-N -1 0 456.539 4.657 20 0 JJADRM Cc1ccccc1Nc1scnc1C(=O)Nc1cc(F)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC001454519723 1066295870 /nfs/dbraw/zinc/29/58/70/1066295870.db2.gz BWWMAUZFMFBOAR-UHFFFAOYSA-N -1 0 452.433 4.765 20 0 JJADRM O=Cc1ccc(-c2ccc(C(=O)NC[C@@H]3CCCCN3Cc3cccc(Cl)c3)c([O-])c2)o1 ZINC001443356974 1066299910 /nfs/dbraw/zinc/29/99/10/1066299910.db2.gz LEVHFHGXBDTBCP-FQEVSTJZSA-N -1 0 452.938 4.903 20 0 JJADRM O=C(COc1ccc(Cl)cc1C1CCCCC1)N[C@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1 ZINC001454662269 1066317786 /nfs/dbraw/zinc/31/77/86/1066317786.db2.gz KLMVWKBXXZURLW-HXUWFJFHSA-N -1 0 454.958 4.690 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2CCCC3(CCCCC3)C2)c1 ZINC001443540748 1066327006 /nfs/dbraw/zinc/32/70/06/1066327006.db2.gz OYPLIVSLKSENFI-UHFFFAOYSA-N -1 0 456.608 4.991 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2C[C@@H](C)Cc3ccccc32)c1 ZINC001443547003 1066327716 /nfs/dbraw/zinc/32/77/16/1066327716.db2.gz HWDLRRCGXNSVSF-KRWDZBQOSA-N -1 0 450.560 4.643 20 0 JJADRM CC(=O)Nc1c(C)ccc(NC(=O)c2sccc2S(=O)(=O)[N-]c2ccc(C)cc2)c1C ZINC001443621313 1066338477 /nfs/dbraw/zinc/33/84/77/1066338477.db2.gz UKPTZFMCLHXVRG-UHFFFAOYSA-N -1 0 457.577 4.685 20 0 JJADRM CCCN(C(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001443629076 1066340101 /nfs/dbraw/zinc/34/01/01/1066340101.db2.gz YMAGQDNGMSVWSM-FQEVSTJZSA-N -1 0 456.587 4.563 20 0 JJADRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)C1 ZINC001455011125 1066353334 /nfs/dbraw/zinc/35/33/34/1066353334.db2.gz ABMIOANLJJSINQ-FQEVSTJZSA-N -1 0 456.917 4.915 20 0 JJADRM O=C(N[C@@H]1c2ccccc2CC[C@@H]1F)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC001455165170 1066367643 /nfs/dbraw/zinc/36/76/43/1066367643.db2.gz FWLLRLBDIIWYIS-RBBKRZOGSA-N -1 0 458.942 4.896 20 0 JJADRM Cc1csc(C(C)(C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2)n1 ZINC001443875942 1066379996 /nfs/dbraw/zinc/37/99/96/1066379996.db2.gz KBKKYAQYGVFAIE-UHFFFAOYSA-N -1 0 456.014 4.632 20 0 JJADRM COCCCn1c(=O)c2ccc(C(=O)N[C@H](CC(C)C)c3ccccc3C)cc2[n-]c1=S ZINC001443963588 1066388084 /nfs/dbraw/zinc/38/80/84/1066388084.db2.gz HWTKZCISRFNSCM-OAQYLSRUSA-N -1 0 453.608 4.547 20 0 JJADRM Cc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)NC[C@@H]2[C@@H](c3ccccc3)C2(F)F)cc1 ZINC001455530973 1066404869 /nfs/dbraw/zinc/40/48/69/1066404869.db2.gz GPVYFTMDKGVUGM-IEBWSBKVSA-N -1 0 462.543 4.636 20 0 JJADRM COc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2C)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC001455536759 1066406897 /nfs/dbraw/zinc/40/68/97/1066406897.db2.gz LPORULGOUADAGY-QGZVFWFLSA-N -1 0 456.539 4.743 20 0 JJADRM CC[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1O)c1ccc(Cl)s1 ZINC001444141745 1066414720 /nfs/dbraw/zinc/41/47/20/1066414720.db2.gz SABFPDCZBGMHPN-CYBMUJFWSA-N -1 0 456.998 4.851 20 0 JJADRM CC[C@@](C)(NC(=O)c1ccc2c(c1)[n-]c(=S)n(CCc1ccccc1)c2=O)c1ccccc1 ZINC001444155501 1066420372 /nfs/dbraw/zinc/42/03/72/1066420372.db2.gz LXUARJQHKBEKLE-HHHXNRCGSA-N -1 0 457.599 4.983 20 0 JJADRM O=C(c1cc(Br)cc(Br)c1[O-])N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC001444249089 1066434516 /nfs/dbraw/zinc/43/45/16/1066434516.db2.gz QPRYXTFWNALBGO-LBPRGKRZSA-N -1 0 457.137 4.761 20 0 JJADRM CCCN(C(=O)c1cccc(I)c1[O-])[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC001444318772 1066447986 /nfs/dbraw/zinc/44/79/86/1066447986.db2.gz 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/nfs/dbraw/zinc/92/74/72/1066927472.db2.gz GCFDUPSARWKFLJ-DOTOQJQBSA-N -1 0 450.988 4.706 20 0 JJADRM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H]3CS[C@H](C)C3)c(Cl)cc2Cl)c1 ZINC001457860286 1066932654 /nfs/dbraw/zinc/93/26/54/1066932654.db2.gz JNKWCMIFQGPCAQ-TZMCWYRMSA-N -1 0 459.420 4.726 20 0 JJADRM COc1ccccc1CO[N-]C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC001448593540 1066940673 /nfs/dbraw/zinc/94/06/73/1066940673.db2.gz PHKMMLOWSQVHLS-SFHVURJKSA-N -1 0 454.445 4.528 20 0 JJADRM C[C@]1(c2cccc(F)c2)CCN(C(=O)CCCCCn2c(=O)c3ccccc3[n-]c2=S)C1 ZINC001457925141 1066942355 /nfs/dbraw/zinc/94/23/55/1066942355.db2.gz CCSPZLVFKWGIAO-VWLOTQADSA-N -1 0 453.583 4.575 20 0 JJADRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2)cc1NC(=O)c1cc(Cl)c(F)cc1N ZINC001448621680 1066944220 /nfs/dbraw/zinc/94/42/20/1066944220.db2.gz ODUZBJPWTQZFDI-UHFFFAOYSA-N -1 0 451.882 4.562 20 0 JJADRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2)cc1NC(=O)c1cn(C)cc1C(F)(F)F ZINC001448623525 1066944898 /nfs/dbraw/zinc/94/48/98/1066944898.db2.gz SFWJSIFNGMPIBM-UHFFFAOYSA-N -1 0 455.433 4.545 20 0 JJADRM Cc1ccc2c(c1)S[C@H](C(=O)Nc1cc(S(=O)(=O)[N-]c3ccccc3)c(F)cc1C)C2 ZINC001448625033 1066945450 /nfs/dbraw/zinc/94/54/50/1066945450.db2.gz YAJJOISSNDJOKB-NRFANRHFSA-N -1 0 456.564 4.899 20 0 JJADRM O=C(c1cc(Cl)cc(Br)c1[O-])N1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC001457955148 1066948093 /nfs/dbraw/zinc/94/80/93/1066948093.db2.gz CBJWMGAFNSPVOT-OAHLLOKOSA-N -1 0 451.748 4.764 20 0 JJADRM O=C(c1nn(-c2ccc(Cl)cc2)cc1[O-])N(Cc1csc(Br)c1)C1CC1 ZINC001546009378 1066955649 /nfs/dbraw/zinc/95/56/49/1066955649.db2.gz MUKAWGNATQHPGA-UHFFFAOYSA-N -1 0 452.761 4.860 20 0 JJADRM O=C(c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1[O-])N1CCCC[C@H]([C@H]2CCOC2)C1 ZINC001458030890 1066958689 /nfs/dbraw/zinc/95/86/89/1066958689.db2.gz DDBQVLRTNNPNBU-STQMWFEESA-N -1 0 458.773 4.817 20 0 JJADRM CC(C)c1c(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)cnn1-c1ccccc1 ZINC001448959894 1066973160 /nfs/dbraw/zinc/97/31/60/1066973160.db2.gz DFQKOYANEFBDAM-UHFFFAOYSA-N -1 0 451.324 4.852 20 0 JJADRM Cc1nn(C)c(Cl)c1C(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2[O-])c(Cl)c1 ZINC001449129636 1066984444 /nfs/dbraw/zinc/98/44/44/1066984444.db2.gz HFXOXXMRXKSGIS-UHFFFAOYSA-N -1 0 453.713 4.899 20 0 JJADRM CCOc1ccc(Cl)c(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2O)c1 ZINC001449930617 1067037642 /nfs/dbraw/zinc/03/76/42/1067037642.db2.gz JSOCRRSVIXXDHR-UHFFFAOYSA-N -1 0 452.941 4.559 20 0 JJADRM COc1ccc(C(=O)N(C)Cc2cccc(C)c2C)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC001450194023 1067058960 /nfs/dbraw/zinc/05/89/60/1067058960.db2.gz NVGKELXEVSNTAJ-UHFFFAOYSA-N -1 0 452.576 4.693 20 0 JJADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cc(Cl)c(I)cc2OC)c1 ZINC001450215503 1067060785 /nfs/dbraw/zinc/06/07/85/1067060785.db2.gz CECAXMNOAMIHIT-UHFFFAOYSA-N -1 0 459.667 4.504 20 0 JJADRM Cc1ccccc1CCN(C)C(=O)c1ccc2c(c1)[n-]c(=S)n(CCc1ccccc1)c2=O ZINC001450227192 1067061503 /nfs/dbraw/zinc/06/15/03/1067061503.db2.gz PNJKKUPBLUWOJO-UHFFFAOYSA-N -1 0 457.599 4.551 20 0 JJADRM COc1ccc([C@@H]2CCN(c3nc4ccc(F)cc4s3)C[C@@H]2[N-]C(=O)C(F)(F)F)cc1F ZINC001458473139 1067071197 /nfs/dbraw/zinc/07/11/97/1067071197.db2.gz HKNDRTIHOUJVTQ-BBRMVZONSA-N -1 0 471.451 4.624 20 0 JJADRM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)c1cccc([N-]S(=O)(=O)C(F)(F)F)c1 ZINC001545780059 1067075467 /nfs/dbraw/zinc/07/54/67/1067075467.db2.gz KPVOWZPGLIFESH-OAHLLOKOSA-N -1 0 455.502 4.888 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(C3CCC3)cn2)c1 ZINC001450532560 1067087133 /nfs/dbraw/zinc/08/71/33/1067087133.db2.gz KDGPVJKFKLXJBJ-UHFFFAOYSA-N -1 0 451.548 4.719 20 0 JJADRM COc1ccccc1[C@H](NC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-])c1ccco1 ZINC001450708242 1067108896 /nfs/dbraw/zinc/10/88/96/1067108896.db2.gz PFZHKIXQSYTOGP-FQEVSTJZSA-N -1 0 457.408 4.718 20 0 JJADRM CCOC(=O)c1cnc(NC(=O)c2cn(CCOc3ccccc3Cl)c3ccccc23)[n-]1 ZINC001450907376 1067135381 /nfs/dbraw/zinc/13/53/81/1067135381.db2.gz BMCPISGJGOJNBK-UHFFFAOYSA-N -1 0 452.898 4.526 20 0 JJADRM CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCC3(C4CCC4)CCC3)ccc2OC)cc1 ZINC001450969607 1067137317 /nfs/dbraw/zinc/13/73/17/1067137317.db2.gz IYWIHYFXIDOOFC-UHFFFAOYSA-N -1 0 456.608 4.759 20 0 JJADRM C[C@H]1CCC(C)(C)N1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC001451071586 1067144839 /nfs/dbraw/zinc/14/48/39/1067144839.db2.gz YLAWVMUYXVGCPL-LBPRGKRZSA-N -1 0 457.415 4.715 20 0 JJADRM CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2)C1(C)C ZINC001451303094 1067158618 /nfs/dbraw/zinc/15/86/18/1067158618.db2.gz RZGWPKMCLRLZFP-JKSUJKDBSA-N -1 0 471.044 4.914 20 0 JJADRM O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)c1cc(Br)cc(F)c1[O-] ZINC001451526072 1067176780 /nfs/dbraw/zinc/17/67/80/1067176780.db2.gz HFPVZDRRADXDFU-UHFFFAOYSA-N -1 0 458.696 4.630 20 0 JJADRM CCOc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)c(F)c1 ZINC001451695842 1067186903 /nfs/dbraw/zinc/18/69/03/1067186903.db2.gz AOFMWOQWYJIIGI-UHFFFAOYSA-N -1 0 458.511 4.595 20 0 JJADRM CCc1c([O-])nc(SCC(=O)c2c(C)c(C)cc(C)c2C)n(-c2ccccc2OC)c1=O ZINC001458945460 1067204241 /nfs/dbraw/zinc/20/42/41/1067204241.db2.gz WZRHKCNFKCEDEZ-UHFFFAOYSA-N -1 0 452.576 4.718 20 0 JJADRM O=C(Nc1cc(-c2cccs2)[nH]n1)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC001452058156 1067205274 /nfs/dbraw/zinc/20/52/74/1067205274.db2.gz HVYJDJBKPQMWRQ-UHFFFAOYSA-N -1 0 458.952 4.845 20 0 JJADRM Cc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)N2CCc3sc(Cl)cc3C2)cc1 ZINC001452250972 1067216304 /nfs/dbraw/zinc/21/63/04/1067216304.db2.gz SFYMFULHSYGXHE-UHFFFAOYSA-N -1 0 453.010 4.771 20 0 JJADRM O=C(NCc1ccc(COc2cccc(F)c2)cc1)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC001452259242 1067216366 /nfs/dbraw/zinc/21/63/66/1067216366.db2.gz UHYQDRQLYKTOEQ-UHFFFAOYSA-N -1 0 451.885 4.879 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)CC[C@H](C)c2ccccc2)c1 ZINC001546105482 1067228839 /nfs/dbraw/zinc/22/88/39/1067228839.db2.gz JLEDVOGCTIUKKN-KRWDZBQOSA-N -1 0 454.548 4.724 20 0 JJADRM CC(C)Cc1cc(NC(=O)c2cc3ccccc3cc2[N-]S(=O)(=O)c2cccs2)n[nH]1 ZINC001452520346 1067231118 /nfs/dbraw/zinc/23/11/18/1067231118.db2.gz MQFMJSUSWAYKQJ-UHFFFAOYSA-N -1 0 454.577 4.876 20 0 JJADRM COc1cccc2c1OCC[C@@H]2NC(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC001452648079 1067240382 /nfs/dbraw/zinc/24/03/82/1067240382.db2.gz JTYSKJWGHDGEHK-INIZCTEOSA-N -1 0 458.923 4.622 20 0 JJADRM Cc1c(NC(=O)c2cccc([N-]S(=O)(=O)c3cccs3)c2)cnn1-c1ccc(C)cc1 ZINC001452743143 1067247954 /nfs/dbraw/zinc/24/79/54/1067247954.db2.gz WFILDNLMSPJMGQ-UHFFFAOYSA-N -1 0 452.561 4.604 20 0 JJADRM C[C@H](C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H]([N-]C(=O)C(F)(F)F)C1)c1cc2ccccc2o1 ZINC001453125616 1067281454 /nfs/dbraw/zinc/28/14/54/1067281454.db2.gz KATYDVHFQFCGDI-JVPBZIDWSA-N -1 0 462.443 4.739 20 0 JJADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N(C)Cc3nc4cc(C(F)(F)F)ccc4[nH]3)n2)cc1 ZINC001453266308 1067292540 /nfs/dbraw/zinc/29/25/40/1067292540.db2.gz OKJVKQXDZCCIQJ-UHFFFAOYSA-N -1 0 457.456 4.869 20 0 JJADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@H](CCc2ccccc2)C(F)F)cc1 ZINC001453496735 1067309499 /nfs/dbraw/zinc/30/94/99/1067309499.db2.gz JUISYLFVHJEFGO-JOCHJYFZSA-N -1 0 458.530 4.792 20 0 JJADRM C[C@@](CO)([N-]C(=O)C(F)(F)c1ccccc1Br)c1cccc(C(F)(F)F)c1 ZINC001453690482 1067322737 /nfs/dbraw/zinc/32/27/37/1067322737.db2.gz AXFVKFUFBIGWJN-INIZCTEOSA-N -1 0 452.217 4.584 20 0 JJADRM CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)[N-]OCC1CCC1 ZINC001453742908 1067326401 /nfs/dbraw/zinc/32/64/01/1067326401.db2.gz UQFAGVUHXUVOQQ-QHCPKHFHSA-N -1 0 454.567 4.549 20 0 JJADRM CS(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)Nc1ccc(Oc2ccccc2F)nc1 ZINC001459697758 1067387459 /nfs/dbraw/zinc/38/74/59/1067387459.db2.gz ZJDIMOFEIQMGFR-UHFFFAOYSA-N -1 0 451.479 4.790 20 0 JJADRM COc1ccccc1-c1nnc([N-]C(=O)c2cc(-c3ccc(Br)cc3)no2)s1 ZINC001460269018 1067594217 /nfs/dbraw/zinc/59/42/17/1067594217.db2.gz HBOKYALCOHJANB-UHFFFAOYSA-N -1 0 457.309 4.884 20 0 JJADRM C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC001460274722 1067595749 /nfs/dbraw/zinc/59/57/49/1067595749.db2.gz YTSFCYXSQOLIIW-GDBMZVCRSA-N -1 0 457.571 4.733 20 0 JJADRM O=C([N-]C[C@H]1CCCN(C(=O)c2ccc(Oc3ccc(Cl)cc3)c(F)c2)C1)C(F)(F)F ZINC001460587067 1067663265 /nfs/dbraw/zinc/66/32/65/1067663265.db2.gz IIRDVXYWURBDIU-CYBMUJFWSA-N -1 0 458.839 4.802 20 0 JJADRM Cc1ccc(-c2ncc(C(=O)N3C[C@H]([N-]C(=O)C(F)(F)F)CC[C@H]3C(F)(F)F)s2)c(C)c1 ZINC001461185361 1067795012 /nfs/dbraw/zinc/79/50/12/1067795012.db2.gz SFLKTMNQBMBTBA-DOMZBBRYSA-N -1 0 479.446 4.641 20 0 JJADRM C[C@@H]1CCc2[nH]c3ccc(C(=O)N4C[C@H]([N-]C(=O)C(F)(F)F)CC[C@H]4C(F)(F)F)cc3c2C1 ZINC001461185994 1067795053 /nfs/dbraw/zinc/79/50/53/1067795053.db2.gz WKVLTHVTVZIISV-BVRBVLIYSA-N -1 0 475.433 4.507 20 0 JJADRM O=C([N-][C@H]1CN(C(=O)c2ccsc2C(F)F)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC001461419598 1067852356 /nfs/dbraw/zinc/85/23/56/1067852356.db2.gz OSCAVDUXCKOZDM-JSGCOSHPSA-N -1 0 450.404 4.502 20 0 JJADRM Cc1onc(-c2cccc(Cl)c2)c1C(=O)Nc1cc(F)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC001462011898 1067980105 /nfs/dbraw/zinc/98/01/05/1067980105.db2.gz TVEKVBMCHFWYFQ-UHFFFAOYSA-N -1 0 455.795 4.873 20 0 JJADRM O=C([N-]c1nnc(C(F)(F)C(F)(F)F)s1)c1cc2sc(N3CCCC3)nc2s1 ZINC001462062654 1067994045 /nfs/dbraw/zinc/99/40/45/1067994045.db2.gz GOTQVODLWGNFOC-UHFFFAOYSA-N -1 0 455.459 4.716 20 0 JJADRM C[C@@H](CNc1cccc(S(=O)(=O)[N-]c2nccs2)c1)c1cccc(Br)c1 ZINC001462209122 1068029280 /nfs/dbraw/zinc/02/92/80/1068029280.db2.gz GJFKXAFCYWYURN-ZDUSSCGKSA-N -1 0 452.399 4.922 20 0 JJADRM C[C@H](CN1C[C@H]([N-]C(=O)C(F)(F)F)CC[C@H]1C(F)(F)F)c1cccc(Br)c1 ZINC001462378839 1068062923 /nfs/dbraw/zinc/06/29/23/1068062923.db2.gz FCJXLKXEKGZUTD-HONMWMINSA-N -1 0 461.244 4.626 20 0 JJADRM O=S(=O)(N=[S@](=O)(c1ccccc1)C(F)(F)F)[N-][C@H](c1ccc(Cl)cc1)C1CC1 ZINC001462734527 1068147680 /nfs/dbraw/zinc/14/76/80/1068147680.db2.gz RKXRTRAALQLONC-OQRWROFFSA-N -1 0 452.907 4.672 20 0 JJADRM O=S(=O)([N-]C1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cnc(-c2ccccc2)s1 ZINC001462803941 1068171702 /nfs/dbraw/zinc/17/17/02/1068171702.db2.gz GDSIUTBLLYTPLD-RYUDHWBXSA-N -1 0 458.449 4.998 20 0 JJADRM O=S(=O)([N-]Cc1cccc(Oc2ccccc2)c1)c1c(F)cc(Br)cc1F ZINC001462836753 1068185106 /nfs/dbraw/zinc/18/51/06/1068185106.db2.gz NZADHWFNDGJMAM-UHFFFAOYSA-N -1 0 454.292 4.998 20 0 JJADRM O=S(=O)([N-]CC1(c2cccc(C(F)(F)F)c2)CCCC1)c1occc1Br ZINC001462897148 1068207609 /nfs/dbraw/zinc/20/76/09/1068207609.db2.gz GOVHOXHYXXJJRR-UHFFFAOYSA-N -1 0 452.292 4.851 20 0 JJADRM O=S(=O)([N-]CC1(c2ccc(Cl)cc2)CCC1)c1c(F)cc(Br)cc1F ZINC001463010994 1068250397 /nfs/dbraw/zinc/25/03/97/1068250397.db2.gz XTRHHHINLUPPBF-UHFFFAOYSA-N -1 0 450.732 4.781 20 0 JJADRM CC1(C)C[C@H](N(Cc2ccccc2)S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])C(C)(C)O1 ZINC001463440229 1068398254 /nfs/dbraw/zinc/39/82/54/1068398254.db2.gz RWWRZSXUWLUSFV-IBGZPJMESA-N -1 0 457.514 4.948 20 0 JJADRM CC1(C)C[C@@H](N(Cc2ccccc2)S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])C(C)(C)O1 ZINC001463440233 1068398404 /nfs/dbraw/zinc/39/84/04/1068398404.db2.gz RWWRZSXUWLUSFV-LJQANCHMSA-N -1 0 457.514 4.948 20 0 JJADRM C[C@H]1Cc2cc(-c3ccc(C[N-]S(=O)(=O)c4c(F)c(F)cc(F)c4F)cc3)ccc2O1 ZINC001463464276 1068409073 /nfs/dbraw/zinc/40/90/73/1068409073.db2.gz ZIAWYMMHMQHSFJ-LBPRGKRZSA-N -1 0 451.441 4.712 20 0 JJADRM O=C(Nc1ccc(N2CCCCC2)nc1)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC001463531051 1068429311 /nfs/dbraw/zinc/42/93/11/1068429311.db2.gz YSKHNGVNFMJDAV-UHFFFAOYSA-N -1 0 456.955 4.997 20 0 JJADRM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)Nc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC001463558545 1068441749 /nfs/dbraw/zinc/44/17/49/1068441749.db2.gz AIUZXTFHASBQIO-WLHTULFXSA-N -1 0 457.379 4.792 20 0 JJADRM C/C=C(\CC)C(=O)Nc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC001463590214 1068458981 /nfs/dbraw/zinc/45/89/81/1068458981.db2.gz NFFTUZGQDJKBFX-YIXHJXPBSA-N -1 0 453.358 4.553 20 0 JJADRM CNc1cc(Cl)ccc1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2OC)c1 ZINC001463606749 1068464147 /nfs/dbraw/zinc/46/41/47/1068464147.db2.gz ZWTAVUDJXIEOKB-UHFFFAOYSA-N -1 0 459.955 4.752 20 0 JJADRM COCCC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1oc2ccccc2c1Br ZINC001463650769 1068480835 /nfs/dbraw/zinc/48/08/35/1068480835.db2.gz OPKHTYNQAHUJJS-INIZCTEOSA-N -1 0 452.370 4.512 20 0 JJADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)NC[C@@H](c3ccccc3Cl)N3CCCC3)n2)cc1 ZINC001463834696 1068541190 /nfs/dbraw/zinc/54/11/90/1068541190.db2.gz DLVIHIXXTDRDNY-QFIPXVFZSA-N -1 0 452.986 4.922 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N[C@H](c2ccc(C)cc2)C2CC2)c1 ZINC001463885528 1068555512 /nfs/dbraw/zinc/55/55/12/1068555512.db2.gz JDWUMUZLSBMCLQ-XMMPIXPASA-N -1 0 450.560 4.686 20 0 JJADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCCN(Cc4ccc(Cl)cc4)CC3)n2)cc1 ZINC001463907017 1068561561 /nfs/dbraw/zinc/56/15/61/1068561561.db2.gz NOXYIFGELJNAQS-UHFFFAOYSA-N -1 0 452.986 4.703 20 0 JJADRM O=C(NCc1c(F)cccc1Cl)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1 ZINC001464053324 1068600988 /nfs/dbraw/zinc/60/09/88/1068600988.db2.gz JZYUPJSQCQPSJO-UHFFFAOYSA-N -1 0 453.322 4.863 20 0 JJADRM O=C(Nc1cccnc1Oc1ccccc1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC001464131269 1068627739 /nfs/dbraw/zinc/62/77/39/1068627739.db2.gz OODBULSIXHLAHM-UHFFFAOYSA-N -1 0 451.529 4.989 20 0 JJADRM Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC001464325761 1068706691 /nfs/dbraw/zinc/70/66/91/1068706691.db2.gz DYQSKGXCDKJVCK-UHFFFAOYSA-N -1 0 452.942 4.664 20 0 JJADRM O=S(=O)([N-][C@@H]1CC=CC[C@H]1C(F)(F)F)c1c(Br)cc(F)cc1Br ZINC001464331537 1068709098 /nfs/dbraw/zinc/70/90/98/1068709098.db2.gz BWKNLMZIFWUAJE-LDYMZIIASA-N -1 0 481.103 4.526 20 0 JJADRM CCN(C(=O)Cc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])cc1)c1ccccc1 ZINC001464340561 1068712955 /nfs/dbraw/zinc/71/29/55/1068712955.db2.gz VAUNIHVXOAOOJR-UHFFFAOYSA-N -1 0 458.493 4.565 20 0 JJADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)NCC3(c4cccc(Cl)c4)CCOCC3)n2)c1 ZINC001464380022 1068725154 /nfs/dbraw/zinc/72/51/54/1068725154.db2.gz CVXYYOOSKSXFSI-UHFFFAOYSA-N -1 0 453.970 4.833 20 0 JJADRM O=S(=O)([N-]CC(F)(F)c1cc(F)cc(F)c1)c1oc2ccccc2c1Br ZINC001464392500 1068729279 /nfs/dbraw/zinc/72/92/79/1068729279.db2.gz ASGMHBFAKUIXEU-UHFFFAOYSA-N -1 0 452.223 4.544 20 0 JJADRM CCCC1CCC(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2[O-])CC1 ZINC001464462591 1068755382 /nfs/dbraw/zinc/75/53/82/1068755382.db2.gz MWVVMFDLVMHVPX-UHFFFAOYSA-N -1 0 450.988 4.935 20 0 JJADRM COc1cccc([C@@H]2C[C@H]2C(=O)N[C@@H](C)c2ccccc2[N-]S(=O)(=O)c2cccs2)c1 ZINC001545850764 1064261221 /nfs/dbraw/zinc/26/12/21/1064261221.db2.gz QAOQUFSRWIRGAM-RYGJVYDSSA-N -1 0 456.589 4.538 20 0 JJADRM C[C@@H](NC(=O)Cc1ccc(F)c(Cl)c1)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC001545853476 1064263187 /nfs/dbraw/zinc/26/31/87/1064263187.db2.gz MVEAJHCWJAQIGR-CYBMUJFWSA-N -1 0 452.960 4.761 20 0 JJADRM Cc1ccc(C(F)(F)C(=O)N[C@@H](C)c2ccccc2[N-]S(=O)(=O)c2cccs2)cc1 ZINC001545853952 1064263729 /nfs/dbraw/zinc/26/37/29/1064263729.db2.gz XCTCDCVQBZLNHB-HNNXBMFYSA-N -1 0 450.532 4.827 20 0 JJADRM C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O ZINC001435660783 1064914941 /nfs/dbraw/zinc/91/49/41/1064914941.db2.gz SNFYEBSXJCQCGK-AWEZNQCLSA-N -1 0 450.482 4.591 20 0 JJADRM COc1ccc(-c2nnc([N-]C(=O)c3cc(-c4cccc(Br)c4)no3)s2)cc1 ZINC001435737341 1064964850 /nfs/dbraw/zinc/96/48/50/1064964850.db2.gz OZAJIVRDQKNXOW-UHFFFAOYSA-N -1 0 457.309 4.884 20 0 JJADRM O=C(c1cccc(F)c1[O-])N(CCOc1cccc(Br)c1)C[C@H]1CCCS1 ZINC001436130618 1065203723 /nfs/dbraw/zinc/20/37/23/1065203723.db2.gz CVKPKFGPFNUVTO-MRXNPFEDSA-N -1 0 454.361 4.711 20 0 JJADRM CCOC(=O)c1onc(-c2ccccc2)c1[N-]C(=O)c1cc(Br)cnc1Cl ZINC001436247664 1065274724 /nfs/dbraw/zinc/27/47/24/1065274724.db2.gz ULNPZBBCWDQZHJ-UHFFFAOYSA-N -1 0 450.676 4.582 20 0 JJADRM CN(C(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001436599475 1065392680 /nfs/dbraw/zinc/39/26/80/1065392680.db2.gz HJPMFQZXXRKVNY-GOTSBHOMSA-N -1 0 452.576 4.529 20 0 JJADRM CN(C(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001436599471 1065392742 /nfs/dbraw/zinc/39/27/42/1065392742.db2.gz HJPMFQZXXRKVNY-DHIUTWEWSA-N -1 0 452.576 4.529 20 0 JJADRM CN(C(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001436599478 1065392790 /nfs/dbraw/zinc/39/27/90/1065392790.db2.gz HJPMFQZXXRKVNY-PKTZIBPZSA-N -1 0 452.576 4.529 20 0 JJADRM CC(C)(C)c1ccc(/C=C\C(=O)N2C[C@H]([N-]C(=O)C(F)(F)F)CC[C@H]2C(F)(F)F)cc1 ZINC001437129878 1065511250 /nfs/dbraw/zinc/51/12/50/1065511250.db2.gz IEJAJMCJJIGYLY-PSRMNPKISA-N -1 0 450.423 4.598 20 0 JJADRM O=C(CCCCc1nc2ccccc2s1)N1C[C@H]([N-]C(=O)C(F)(F)F)CC[C@H]1C(F)(F)F ZINC001437133764 1065511496 /nfs/dbraw/zinc/51/14/96/1065511496.db2.gz PTMIQTLIDGFWDV-DOMZBBRYSA-N -1 0 481.462 4.610 20 0 JJADRM O=C([N-][C@H]1CN(C(=O)c2cc(Cl)nc3ccccc32)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC001437471660 1065557624 /nfs/dbraw/zinc/55/76/24/1065557624.db2.gz CCBANAUTYYUDIQ-KXBFYZLASA-N -1 0 479.861 4.704 20 0 JJADRM O=C([N-][C@H]1CN(C(=O)c2cnc(-c3ccccc3)s2)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC001437474464 1065558637 /nfs/dbraw/zinc/55/86/37/1065558637.db2.gz IRWDVVITINIJON-ROUUACIJSA-N -1 0 477.483 4.626 20 0 JJADRM Cc1cc(C(=O)N2CC[C@@H](c3cccc(F)c3)[C@@H]([N-]C(=O)C(F)(F)F)C2)c(C)cc1Cl ZINC001437474220 1065558691 /nfs/dbraw/zinc/55/86/91/1065558691.db2.gz IBXGQFSYLXORGX-LPHOPBHVSA-N -1 0 456.867 4.773 20 0 JJADRM Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)N1C[C@@H]([N-]C(=O)C(F)(F)F)CC[C@H]1C(F)(F)F ZINC001437700040 1065593284 /nfs/dbraw/zinc/59/32/84/1065593284.db2.gz CYAVXIGEAYJOQF-FQLMCAECSA-N -1 0 450.423 4.576 20 0 JJADRM O=C([N-][C@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2cc3cc(Cl)ccc3s2)C1)C(F)(F)F ZINC001437701868 1065593501 /nfs/dbraw/zinc/59/35/01/1065593501.db2.gz HPESALUUSAVQKA-GWCFXTLKSA-N -1 0 458.811 4.769 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)CCCc2csc(C)n2)ccc1C ZINC001440485669 1065943642 /nfs/dbraw/zinc/94/36/42/1065943642.db2.gz RICKPDHGKMHCCG-UHFFFAOYSA-N -1 0 459.593 4.531 20 0 JJADRM Cc1cccc(OCCCNC(=O)c2nn(-c3ccc(Cl)cc3C(F)(F)F)cc2[O-])c1 ZINC001440712413 1065970003 /nfs/dbraw/zinc/97/00/03/1065970003.db2.gz XMTQCBQVIKNHLI-UHFFFAOYSA-N -1 0 453.848 4.757 20 0 JJADRM CC(=O)Nc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC001440833111 1065983032 /nfs/dbraw/zinc/98/30/32/1065983032.db2.gz IQFFCXAAIGELAH-UHFFFAOYSA-N -1 0 457.939 4.660 20 0 JJADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2cccc(OC(F)(F)F)c2)cc1 ZINC001440869051 1065985859 /nfs/dbraw/zinc/98/58/59/1065985859.db2.gz GVWWVNKCDBEUEA-UHFFFAOYSA-N -1 0 450.438 4.947 20 0 JJADRM CCC(C)(C)C1CCC(NC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2[O-])CC1 ZINC001441000987 1065999424 /nfs/dbraw/zinc/99/94/24/1065999424.db2.gz DLPNPMWFAHOJJE-UHFFFAOYSA-N -1 0 458.624 4.596 20 0 JJADRM O=C(CCCCCn1c(=O)c2ccccc2[n-]c1=S)N1CCCCC[C@H]1c1ccncc1 ZINC001441362642 1066034565 /nfs/dbraw/zinc/03/45/65/1066034565.db2.gz BSUSVELVCOOXMF-QFIPXVFZSA-N -1 0 450.608 4.785 20 0 JJADRM CC1(C)Oc2ccc(NC(=O)c3cc(Cl)ccc3[N-]S(=O)(=O)c3ccccc3)cc2O1 ZINC001441367989 1066035399 /nfs/dbraw/zinc/03/53/99/1066035399.db2.gz YUXVQLBVENCISO-UHFFFAOYSA-N -1 0 458.923 4.900 20 0 JJADRM Cc1oc(Br)cc1C(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cccs2)c1 ZINC001441544048 1066049642 /nfs/dbraw/zinc/04/96/42/1066049642.db2.gz DLFCCNJYZZWVKT-UHFFFAOYSA-N -1 0 459.318 4.604 20 0 JJADRM Cc1cc(C(=O)Nc2ccc(F)c([N-]S(=O)(=O)c3cccs3)c2)oc1Br ZINC001441550952 1066050118 /nfs/dbraw/zinc/05/01/18/1066050118.db2.gz TUAKTYGILSSRRD-UHFFFAOYSA-N -1 0 459.318 4.604 20 0 JJADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)Nc3ccc(N4C[C@@H](C)O[C@@H](C)C4)c(F)c3)n2)c1 ZINC001441555202 1066050717 /nfs/dbraw/zinc/05/07/17/1066050717.db2.gz AVPVMSHJVVSYMR-CALCHBBNSA-N -1 0 452.530 4.706 20 0 JJADRM O=C(COc1cccc(NC(=O)c2cc(Br)c(F)cc2[O-])c1)Nc1ccccc1 ZINC001441788050 1066069962 /nfs/dbraw/zinc/06/99/62/1066069962.db2.gz ANHIZBRBUGORCK-UHFFFAOYSA-N -1 0 459.271 4.564 20 0 JJADRM Cc1ccccc1CN(Cc1cccnc1)C(=O)c1cccc(I)c1[O-] ZINC001442024988 1066085773 /nfs/dbraw/zinc/08/57/73/1066085773.db2.gz SHVNIYKVZDAQLE-UHFFFAOYSA-N -1 0 458.299 4.543 20 0 JJADRM CC(C)(C)OC(=O)c1cc(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)n[n-]1 ZINC001442080812 1066091291 /nfs/dbraw/zinc/09/12/91/1066091291.db2.gz PURVLBGBQOSNKL-UHFFFAOYSA-N -1 0 452.458 4.683 20 0 JJADRM CCCC(=O)Nc1nc2ccc(NC(=O)c3cc(Br)c(F)cc3[O-])cc2s1 ZINC001442104995 1066093682 /nfs/dbraw/zinc/09/36/82/1066093682.db2.gz NLFSXWRKLULUOU-UHFFFAOYSA-N -1 0 452.305 4.894 20 0 JJADRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)NC3CCN(c4ccc(C(C)(C)C)cc4)CC3)n2)c1 ZINC001442236946 1066106687 /nfs/dbraw/zinc/10/66/87/1066106687.db2.gz VOPWQAJBYMIMPC-UHFFFAOYSA-N -1 0 450.558 4.722 20 0 JJADRM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccccc1)[C@H]1CCN(c2ccccc2Cl)C1 ZINC001442379065 1066121327 /nfs/dbraw/zinc/12/13/27/1066121327.db2.gz VNZALDCZKVHCOS-KRWDZBQOSA-N -1 0 455.967 4.606 20 0 JJADRM Cc1cc(Br)ccc1CC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC001442373505 1066121414 /nfs/dbraw/zinc/12/14/14/1066121414.db2.gz GVDWENYJZZQREL-UHFFFAOYSA-N -1 0 459.365 4.740 20 0 JJADRM O=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)c1cc(Br)c(F)cc1[O-] ZINC001442516621 1066132021 /nfs/dbraw/zinc/13/20/21/1066132021.db2.gz DEMQUCPCCXTOKN-UHFFFAOYSA-N -1 0 450.308 4.954 20 0 JJADRM C[C@H](CNC(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-])N1CCc2ccccc21 ZINC001442752815 1066156888 /nfs/dbraw/zinc/15/68/88/1066156888.db2.gz WGIMGCJOAAERLF-CQSZACIVSA-N -1 0 455.967 4.540 20 0 JJADRM CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccco1)c2=O ZINC001442755838 1066157132 /nfs/dbraw/zinc/15/71/32/1066157132.db2.gz OHWYIAOGPQOEFK-YLJYHZDGSA-N -1 0 453.608 4.909 20 0 JJADRM O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NC(=O)c1n[n-]c2ccccc2c1=O ZINC001442762152 1066158254 /nfs/dbraw/zinc/15/82/54/1066158254.db2.gz HGOKBLQXVANZIB-UHFFFAOYSA-N -1 0 452.392 4.859 20 0 JJADRM CCc1cccc2c1OCC[C@H]2NC(=O)c1cc(Br)c([O-])c(Br)c1 ZINC001442796214 1066223414 /nfs/dbraw/zinc/22/34/14/1066223414.db2.gz IGQBNIBUUDMRNX-OAHLLOKOSA-N -1 0 455.146 4.733 20 0 JJADRM O=C(c1nn(-c2ccccc2C(F)(F)F)cc1[O-])N1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC001454026927 1066237334 /nfs/dbraw/zinc/23/73/34/1066237334.db2.gz YDHPHOJYHRWMCC-AWEZNQCLSA-N -1 0 451.395 4.895 20 0 JJADRM O=C(N[C@@H](CC1CCCCC1)c1ccccc1)c1cnc(I)c([O-])c1 ZINC001442911452 1066239300 /nfs/dbraw/zinc/23/93/00/1066239300.db2.gz XTUXWIRLDQTFOG-KRWDZBQOSA-N -1 0 450.320 4.833 20 0 JJADRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)NCCc2csc(C(C)C)n2)c1 ZINC001442960290 1066246351 /nfs/dbraw/zinc/24/63/51/1066246351.db2.gz GMGJKGBDCMWFGA-UHFFFAOYSA-N -1 0 457.621 4.657 20 0 JJADRM O=C(Nc1csc(-c2ccc(Br)cc2)n1)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC001454137844 1066249421 /nfs/dbraw/zinc/24/94/21/1066249421.db2.gz SZIBAEYEFMWWCQ-UHFFFAOYSA-N -1 0 459.300 4.855 20 0 JJADRM CCCOc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3OC)c2)cc1C ZINC001454357362 1066275000 /nfs/dbraw/zinc/27/50/00/1066275000.db2.gz NRBYCESDHSPMQZ-UHFFFAOYSA-N -1 0 454.548 4.846 20 0 JJADRM O=C(Nc1c(F)cccc1N1CCCC1)c1cc(Br)cc(Br)c1[O-] ZINC001443287584 1066289912 /nfs/dbraw/zinc/28/99/12/1066289912.db2.gz NWNUQOFBORKSOL-UHFFFAOYSA-N -1 0 458.125 4.909 20 0 JJADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)NC[C@@H](C)c2ccncc2)c1C ZINC001454549591 1066299813 /nfs/dbraw/zinc/29/98/13/1066299813.db2.gz PUBYNIDGUWFHSH-GOSISDBHSA-N -1 0 451.592 4.650 20 0 JJADRM COc1ccccc1[C@@H]1CCCCN1C(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC001443364257 1066302350 /nfs/dbraw/zinc/30/23/50/1066302350.db2.gz NBAPKWNRNJQZQY-FQEVSTJZSA-N -1 0 456.589 4.925 20 0 JJADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)Nc3ccc(Oc4cccc(C(N)=O)c4)cc3)n2)c1 ZINC001443380582 1066303404 /nfs/dbraw/zinc/30/34/04/1066303404.db2.gz UZAXBLFWFYVXHQ-UHFFFAOYSA-N -1 0 456.502 4.845 20 0 JJADRM Cc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)[N-]c4nccs4)cc3)n2)cc1 ZINC001443375423 1066303538 /nfs/dbraw/zinc/30/35/38/1066303538.db2.gz ZXEISZSESGEEMW-UHFFFAOYSA-N -1 0 456.574 4.628 20 0 JJADRM O=C(NCC1(Sc2ccccc2)CC1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC001443385212 1066304138 /nfs/dbraw/zinc/30/41/38/1066304138.db2.gz RLXOXVYHQKTYSL-UHFFFAOYSA-N -1 0 456.564 4.681 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)Nc2cc(C)cc(OC)c2C)c1 ZINC001454593280 1066306900 /nfs/dbraw/zinc/30/69/00/1066306900.db2.gz RMXTWGZWFGVNKJ-UHFFFAOYSA-N -1 0 454.548 4.682 20 0 JJADRM CC(C)Oc1cc(NC(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])ccc1Br ZINC001454659647 1066317271 /nfs/dbraw/zinc/31/72/71/1066317271.db2.gz TWJLSWQLCGWAOO-UHFFFAOYSA-N -1 0 452.255 4.658 20 0 JJADRM Cc1cc(C(=O)NCc2cc(Cl)cc(Cl)c2F)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC001454780813 1066333398 /nfs/dbraw/zinc/33/33/98/1066333398.db2.gz ABOULIWVDWAMIG-UHFFFAOYSA-N -1 0 459.248 4.632 20 0 JJADRM CS(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)N1CCC(Cc2ccc(Cl)cc2)CC1 ZINC001454859750 1066336898 /nfs/dbraw/zinc/33/68/98/1066336898.db2.gz SWMJIJSLWZKCJQ-UHFFFAOYSA-N -1 0 456.995 4.960 20 0 JJADRM O=C(c1nc[n-]c(=O)c1Br)N1CCC[C@H]1Cc1cccc(Oc2ccccc2)c1 ZINC001454969692 1066347732 /nfs/dbraw/zinc/34/77/32/1066347732.db2.gz MJAMWVAOOSEBAN-INIZCTEOSA-N -1 0 454.324 4.584 20 0 JJADRM COc1ccc(C(=O)N2CC([C@@H]3CCC[C@@H](C)C3)C2)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC001455005316 1066351682 /nfs/dbraw/zinc/35/16/82/1066351682.db2.gz UXDWYVFDVIISSV-RTBURBONSA-N -1 0 456.608 4.703 20 0 JJADRM CC[C@H](C)Oc1cccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2C)n1 ZINC001455012164 1066353814 /nfs/dbraw/zinc/35/38/14/1066353814.db2.gz WJXLAAQSYJXSAK-INIZCTEOSA-N -1 0 457.527 4.760 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@@H](c2ccccc2)C(C)C)cc1 ZINC001443822553 1066371717 /nfs/dbraw/zinc/37/17/17/1066371717.db2.gz NUZHBAHRWOPJRH-XMMPIXPASA-N -1 0 452.576 4.965 20 0 JJADRM CC(C)C(=O)Nc1cccc(OC(=O)c2cc(Br)c([O-])c(Br)c2)c1 ZINC001443836033 1066373900 /nfs/dbraw/zinc/37/39/00/1066373900.db2.gz ZIHNTODPXYQKHI-UHFFFAOYSA-N -1 0 457.118 4.731 20 0 JJADRM O=C(N[C@@H](Cc1ccccc1)C1CC1)c1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC001443973047 1066389274 /nfs/dbraw/zinc/38/92/74/1066389274.db2.gz FPHZERRNUPHXDB-QFIPXVFZSA-N -1 0 456.514 4.517 20 0 JJADRM CCCCNc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC001443983395 1066390407 /nfs/dbraw/zinc/39/04/07/1066390407.db2.gz ALSVXXSSHOUREL-UHFFFAOYSA-N -1 0 451.367 4.941 20 0 JJADRM CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])CC1 ZINC001444062018 1066398476 /nfs/dbraw/zinc/39/84/76/1066398476.db2.gz GPMDINIXUBKKFO-JOCHJYFZSA-N -1 0 454.473 4.652 20 0 JJADRM O=C(CCCCCn1c(=O)c2ccccc2[n-]c1=S)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001444176303 1066426311 /nfs/dbraw/zinc/42/63/11/1066426311.db2.gz PLLZWQSJOUMNQR-SFHVURJKSA-N -1 0 456.011 4.915 20 0 JJADRM O=C(NCc1coc(-c2ccccc2)n1)c1cc(Br)c([O-])c(Br)c1 ZINC001444264936 1066438492 /nfs/dbraw/zinc/43/84/92/1066438492.db2.gz OBDWCNXNUQISEU-UHFFFAOYSA-N -1 0 452.102 4.502 20 0 JJADRM CSC1(CNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2C)CCCCC1 ZINC001455860160 1066442772 /nfs/dbraw/zinc/44/27/72/1066442772.db2.gz LBAMSTMDTITPTJ-UHFFFAOYSA-N -1 0 450.601 4.731 20 0 JJADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)NCC2(c3cccc(F)c3)CC2)ccc1F ZINC001444388699 1066456653 /nfs/dbraw/zinc/45/66/53/1066456653.db2.gz JBAUWXDYNVRLNV-UHFFFAOYSA-N -1 0 456.514 4.536 20 0 JJADRM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N[C@@H](C)c1ccccc1-c1ccc(Cl)cc1 ZINC001444397158 1066458227 /nfs/dbraw/zinc/45/82/27/1066458227.db2.gz WQWWALFJIFQVRG-HNNXBMFYSA-N -1 0 459.937 4.688 20 0 JJADRM CC[C@H](C)[C@@H]1CCCCN1C(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1[O-] ZINC001444497169 1066468245 /nfs/dbraw/zinc/46/82/45/1066468245.db2.gz DPGBGDITYOPUIX-YWZLYKJASA-N -1 0 450.988 4.887 20 0 JJADRM COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2cc(C(C)=O)cc(F)c2[O-])c1 ZINC001456042719 1066488690 /nfs/dbraw/zinc/48/86/90/1066488690.db2.gz YIJDIMSUEXDOLQ-UHFFFAOYSA-N -1 0 459.477 4.907 20 0 JJADRM O=C(c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1)N1CC[C@@H](Cc2ccccc2)C1 ZINC001444666121 1066490223 /nfs/dbraw/zinc/49/02/23/1066490223.db2.gz DMHOUDJYXSELCF-IBGZPJMESA-N -1 0 454.979 4.846 20 0 JJADRM Cc1noc(C)c1N(C)C(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC001444720876 1066497501 /nfs/dbraw/zinc/49/75/01/1066497501.db2.gz OETRFIHDPDWJDB-UHFFFAOYSA-N -1 0 454.335 4.676 20 0 JJADRM Cc1ccccc1O[C@H](C)CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC001444813411 1066508160 /nfs/dbraw/zinc/50/81/60/1066508160.db2.gz MZMQWSSTRCDSAN-QGZVFWFLSA-N -1 0 458.967 4.647 20 0 JJADRM Cc1ccccc1O[C@@H](C)CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC001444813407 1066508228 /nfs/dbraw/zinc/50/82/28/1066508228.db2.gz MZMQWSSTRCDSAN-KRWDZBQOSA-N -1 0 458.967 4.647 20 0 JJADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC[C@@H](C)Oc2ccccc2Cl)cc1 ZINC001444865806 1066514693 /nfs/dbraw/zinc/51/46/93/1066514693.db2.gz CXICXIUIHHFYHW-QGZVFWFLSA-N -1 0 458.967 4.647 20 0 JJADRM O=C(NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ncc(Br)cc1[O-] ZINC001444895329 1066517038 /nfs/dbraw/zinc/51/70/38/1066517038.db2.gz USDDERCSXJBZOA-UHFFFAOYSA-N -1 0 458.259 4.622 20 0 JJADRM CCO[C@H]1C[C@@H](NC(=O)c2nn(-c3ccc(Cl)cc3C(F)(F)F)cc2[O-])C1(CC)CC ZINC001444959064 1066522842 /nfs/dbraw/zinc/52/28/42/1066522842.db2.gz PNXOTYMHVKXROO-SJORKVTESA-N -1 0 459.896 4.964 20 0 JJADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)NC[C@H](C)Sc2ccccc2)ccc1F ZINC001445001927 1066529161 /nfs/dbraw/zinc/52/91/61/1066529161.db2.gz YBYGMRIGAQWAAV-KRWDZBQOSA-N -1 0 458.580 4.846 20 0 JJADRM CSc1cccc([C@@H](NC(=O)c2cccc(-c3nc(=O)o[n-]3)c2)c2cc(F)ccc2F)c1 ZINC001445011378 1066529976 /nfs/dbraw/zinc/52/99/76/1066529976.db2.gz YTKKCNHBTHBXBA-HXUWFJFHSA-N -1 0 453.470 4.549 20 0 JJADRM CCC[C@H]1[C@@H](C)CCCN1C(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1[O-] ZINC001445051776 1066534137 /nfs/dbraw/zinc/53/41/37/1066534137.db2.gz FVAJFRVUIOYFSA-YWZLYKJASA-N -1 0 450.988 4.887 20 0 JJADRM Cc1cc(O[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)[N-]c3nccs3)c2)ccc1C(C)C ZINC001445077487 1066536225 /nfs/dbraw/zinc/53/62/25/1066536225.db2.gz DZWYBZFFDMVWTB-INIZCTEOSA-N -1 0 459.593 4.782 20 0 JJADRM O=C(Nc1cccc(S(=O)(=O)[N-]c2nccs2)c1)c1ccccc1Nc1ccccc1 ZINC001445079931 1066536909 /nfs/dbraw/zinc/53/69/09/1066536909.db2.gz LKFYCQOEIJAGTA-UHFFFAOYSA-N -1 0 450.545 4.940 20 0 JJADRM CCn1c(=O)c2ccc(C(=O)NCC3(Sc4ccc(C)cc4)CCCC3)cc2[n-]c1=S ZINC001445225909 1066547198 /nfs/dbraw/zinc/54/71/98/1066547198.db2.gz JJLZVFRIYMRDGD-UHFFFAOYSA-N -1 0 453.633 4.848 20 0 JJADRM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)N(CCC(F)(F)F)CC1CC1 ZINC001445272207 1066551509 /nfs/dbraw/zinc/55/15/09/1066551509.db2.gz MCADWNJPVPFQJW-UHFFFAOYSA-N -1 0 458.477 4.740 20 0 JJADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N[C@@H](C)c3nc(-c4ccc(Cl)cc4)no3)n2)c1 ZINC001456271173 1066551744 /nfs/dbraw/zinc/55/17/44/1066551744.db2.gz QVAURCLRGBPYDR-AWEZNQCLSA-N -1 0 451.914 4.896 20 0 JJADRM CCO[C@H]1C[C@H](N(C)C(=O)c2cccc([N-]S(=O)(=O)c3cccs3)c2)C1(CC)CC ZINC001445287025 1066553928 /nfs/dbraw/zinc/55/39/28/1066553928.db2.gz MCWLNEMLZYLOGQ-OALUTQOASA-N -1 0 450.626 4.605 20 0 JJADRM CC(C)[C@H](CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1)c1cccnc1 ZINC001445293555 1066555595 /nfs/dbraw/zinc/55/55/95/1066555595.db2.gz VZNMAWPVYUCPGY-NRFANRHFSA-N -1 0 457.983 4.705 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N2CC[C@@H](c3ccccc3)[C@H]2C)c1 ZINC001445294400 1066555653 /nfs/dbraw/zinc/55/56/53/1066555653.db2.gz FUYGGMWMKFQDKB-XMSQKQJNSA-N -1 0 450.560 4.514 20 0 JJADRM C[C@H](NC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccco1)c2=O)c1c(F)cccc1Cl ZINC001445374551 1066564527 /nfs/dbraw/zinc/56/45/27/1066564527.db2.gz GXXOOFJIZRNGTQ-LBPRGKRZSA-N -1 0 457.914 4.610 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N(C)Cc2c(C)cccc2C)c1 ZINC001456474934 1066593648 /nfs/dbraw/zinc/59/36/48/1066593648.db2.gz ILLCXCALAGDNMO-UHFFFAOYSA-N -1 0 452.576 4.693 20 0 JJADRM CC1(C)C[C@H](NC(=O)c2ccccc2[N-]S(=O)(=O)c2cc(F)ccc2F)c2ccccc21 ZINC001445717993 1066610427 /nfs/dbraw/zinc/61/04/27/1066610427.db2.gz BXJDDPQSJMVVQD-NRFANRHFSA-N -1 0 456.514 4.918 20 0 JJADRM COC(=O)c1ccc(Sc2ccc(Cl)cn2)c(NC(=O)c2s[n-]c(=O)c2Cl)c1 ZINC001445842482 1066625527 /nfs/dbraw/zinc/62/55/27/1066625527.db2.gz INPYOZUZXRAXIM-UHFFFAOYSA-N -1 0 456.332 4.741 20 0 JJADRM CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1cccc(C(F)(F)F)c1[O-] ZINC001445865671 1066628386 /nfs/dbraw/zinc/62/83/86/1066628386.db2.gz WXBGDNLHHVKEQA-HNNXBMFYSA-N -1 0 450.240 4.622 20 0 JJADRM C[C@H](NC(=O)CCCCc1cccc(O)c1)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC001446271927 1066682457 /nfs/dbraw/zinc/68/24/57/1066682457.db2.gz ISWFBPWXLGENLU-KRWDZBQOSA-N -1 0 458.605 4.845 20 0 JJADRM COc1cccc([C@H](C)CC(=O)N[C@H](C)c2ccccc2[N-]S(=O)(=O)c2cccs2)c1 ZINC001446273946 1066683163 /nfs/dbraw/zinc/68/31/63/1066683163.db2.gz MZHUZTRAFPVFNA-IAGOWNOFSA-N -1 0 458.605 4.929 20 0 JJADRM Cc1cc([C@@H](NC(=O)Cc2ccc([N-]S(=O)(=O)c3cccs3)cc2)C2CC2)ccc1F ZINC001446318933 1066689529 /nfs/dbraw/zinc/68/95/29/1066689529.db2.gz FVTNKBUCRKWPOL-QHCPKHFHSA-N -1 0 458.580 4.806 20 0 JJADRM O=C([N-][C@@H]1CO[C@H]1c1ccccc1)C(F)(F)c1ccc(OC(F)(F)F)c(Br)c1 ZINC001456790795 1066690942 /nfs/dbraw/zinc/69/09/42/1066690942.db2.gz NAZRJTGVQWJNGJ-HIFRSBDPSA-N -1 0 466.200 4.696 20 0 JJADRM Cc1ccc(Cl)cc1CNC(=O)c1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1F ZINC001456799183 1066692955 /nfs/dbraw/zinc/69/29/55/1066692955.db2.gz FCSHMIAJAAHEOJ-UHFFFAOYSA-N -1 0 450.894 4.657 20 0 JJADRM C[C@@H](NC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1)c1cccc(F)c1F ZINC001446397550 1066702140 /nfs/dbraw/zinc/70/21/40/1066702140.db2.gz QBDLUBPGLCIKRE-CYBMUJFWSA-N -1 0 450.894 4.910 20 0 JJADRM O=C(c1cc(Br)c(F)cc1[O-])N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC001446403070 1066702588 /nfs/dbraw/zinc/70/25/88/1066702588.db2.gz ZLXDHSTXYJYNLE-QMMMGPOBSA-N -1 0 453.255 4.789 20 0 JJADRM Cc1c(NC(=O)c2cc(Br)cc(Br)c2[O-])cnn1-c1ccccc1 ZINC001446423929 1066703576 /nfs/dbraw/zinc/70/35/76/1066703576.db2.gz PZLSJBFBOIBMIT-UHFFFAOYSA-N -1 0 451.118 4.664 20 0 JJADRM CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC001456909304 1066718435 /nfs/dbraw/zinc/71/84/35/1066718435.db2.gz ZRBQRYOBWTWVOB-CJNGLKHVSA-N -1 0 464.971 4.600 20 0 JJADRM Cc1cc(C)c(CCNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2C)c(C)c1 ZINC001446593022 1066725215 /nfs/dbraw/zinc/72/52/15/1066725215.db2.gz PMEXFTAUYTUHRH-UHFFFAOYSA-N -1 0 454.567 4.833 20 0 JJADRM CC[C@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1C)c1ccc(F)cc1 ZINC001446651545 1066729400 /nfs/dbraw/zinc/72/94/00/1066729400.db2.gz FYEXHQUKUNXARJ-NRFANRHFSA-N -1 0 456.539 4.825 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)c1 ZINC001446716853 1066734135 /nfs/dbraw/zinc/73/41/35/1066734135.db2.gz WAIVZTDEGDGJFO-HUUCEWRRSA-N -1 0 472.485 4.509 20 0 JJADRM COc1cc([C@H](NC(=O)c2cc(Cl)cc(Cl)c2[O-])C(F)(F)F)cc(OC)c1OC ZINC001446803434 1066742327 /nfs/dbraw/zinc/74/23/27/1066742327.db2.gz IUDKOCIKGDKABY-INIZCTEOSA-N -1 0 454.228 4.758 20 0 JJADRM COc1cc([C@@H](NC(=O)c2cc(Cl)cc(Cl)c2[O-])C(F)(F)F)cc(OC)c1OC ZINC001446803437 1066742343 /nfs/dbraw/zinc/74/23/43/1066742343.db2.gz IUDKOCIKGDKABY-MRXNPFEDSA-N -1 0 454.228 4.758 20 0 JJADRM O=C(c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1)N1CC(Cc2ccccc2)C1 ZINC001446996194 1066763516 /nfs/dbraw/zinc/76/35/16/1066763516.db2.gz MEAXCDRJIXABRF-UHFFFAOYSA-N -1 0 458.942 4.595 20 0 JJADRM O=C(c1nn(-c2ccccc2C(F)(F)F)cc1[O-])N(Cc1cccs1)Cc1ccncc1 ZINC001457131698 1066769107 /nfs/dbraw/zinc/76/91/07/1066769107.db2.gz RKUNVVVUHCQXKL-UHFFFAOYSA-N -1 0 458.465 4.896 20 0 JJADRM CCc1nc(C(=O)Nc2cc(Cl)cc(Br)c2[O-])nn1-c1ccccc1Cl ZINC001447089221 1066771966 /nfs/dbraw/zinc/77/19/66/1066771966.db2.gz FJGKFBRLPYIGRX-UHFFFAOYSA-N -1 0 456.127 4.857 20 0 JJADRM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc(C2CCCC2)nn1C ZINC001447529262 1066819029 /nfs/dbraw/zinc/81/90/29/1066819029.db2.gz GJSUYWQFMOCFPD-UHFFFAOYSA-N -1 0 456.543 4.578 20 0 JJADRM O=C(Nc1ncn(C2CCCCC2)n1)c1nn(-c2ccc(Cl)cc2C(F)(F)F)cc1[O-] ZINC001447566993 1066823342 /nfs/dbraw/zinc/82/33/42/1066823342.db2.gz JAPTYFSLBIZEKV-UHFFFAOYSA-N -1 0 454.840 4.599 20 0 JJADRM O=C(c1s[n-]c(=O)c1Cl)N(Cc1ccccc1)C[C@@H](O)c1ccccc1C(F)(F)F ZINC001447570589 1066823719 /nfs/dbraw/zinc/82/37/19/1066823719.db2.gz FFYNLKXPSCOJQI-OAHLLOKOSA-N -1 0 456.873 4.897 20 0 JJADRM Cc1ccc(-n2[n-]c(C(=O)N[C@@H](CC(F)(F)F)c3ccc(C(F)(F)F)cc3)cc2=O)cc1 ZINC001447750819 1066852239 /nfs/dbraw/zinc/85/22/39/1066852239.db2.gz JIWQYSSSQZMXNS-KRWDZBQOSA-N -1 0 457.374 4.916 20 0 JJADRM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCc2cccc3cc[nH]c32)ccc1Cl ZINC001447746917 1066852343 /nfs/dbraw/zinc/85/23/43/1066852343.db2.gz WIEKDYWMKORMJY-UHFFFAOYSA-N -1 0 453.951 4.861 20 0 JJADRM O=C(Nc1cccc(-c2nnco2)c1)c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1[O-] ZINC001457560783 1066861363 /nfs/dbraw/zinc/86/13/63/1066861363.db2.gz VFPGMUPGHLHZPA-UHFFFAOYSA-N -1 0 450.669 4.840 20 0 JJADRM CCN1CCc2ccc(NC(=O)c3nn(-c4ccc(Cl)cc4C(F)(F)F)cc3[O-])cc21 ZINC001457599309 1066875171 /nfs/dbraw/zinc/87/51/71/1066875171.db2.gz RSVOUEWKHVWTGZ-UHFFFAOYSA-N -1 0 450.848 4.885 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NCc2cccc(C(C)C)c2)c1 ZINC001447918691 1066876915 /nfs/dbraw/zinc/87/69/15/1066876915.db2.gz LQHFOBBTJSRTIO-UHFFFAOYSA-N -1 0 452.576 4.858 20 0 JJADRM CCc1ccccc1CNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2OC)c1 ZINC001457656927 1066890795 /nfs/dbraw/zinc/89/07/95/1066890795.db2.gz JNAHUGYYGUVAGU-UHFFFAOYSA-N -1 0 458.967 4.642 20 0 JJADRM Cc1ccc(-c2cnc(NC(=O)c3cccc([N-]S(=O)(=O)C(F)(F)F)c3)s2)c(C)c1 ZINC001448040705 1066893468 /nfs/dbraw/zinc/89/34/68/1066893468.db2.gz VLHCHLPZFQIYQC-UHFFFAOYSA-N -1 0 455.483 4.941 20 0 JJADRM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3C[C@@H]4[C@H](C3)C4(C)C)c(Cl)cc2Cl)c1 ZINC001457670314 1066894366 /nfs/dbraw/zinc/89/43/66/1066894366.db2.gz MVJFWYLMIKLQLX-IYBDPMFKSA-N -1 0 453.391 4.831 20 0 JJADRM Cc1ccc(SC2(CNC(=O)CCn3c(=O)c4ccccc4[n-]c3=S)CCCC2)cc1 ZINC001457680702 1066895796 /nfs/dbraw/zinc/89/57/96/1066895796.db2.gz KUTKFVPEFCNIIQ-UHFFFAOYSA-N -1 0 453.633 4.605 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](CC(C)C)C2)ccc1Cl ZINC001457686647 1066897223 /nfs/dbraw/zinc/89/72/23/1066897223.db2.gz YUTDZDPDPIQHTM-INIZCTEOSA-N -1 0 450.988 4.658 20 0 JJADRM COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3cc(F)cc(Cl)c3[O-])C2)c2ccccc12 ZINC001448120657 1066902123 /nfs/dbraw/zinc/90/21/23/1066902123.db2.gz KXNFMVSRHSDDEQ-AWEZNQCLSA-N -1 0 456.901 4.837 20 0 JJADRM O=C(N[C@@H](C(=O)Nc1cc(Br)cc(Cl)c1[O-])c1ccccc1)c1ccccc1 ZINC001457734041 1066906335 /nfs/dbraw/zinc/90/63/35/1066906335.db2.gz JSKPTQSMQNOZFR-GOSISDBHSA-N -1 0 459.727 4.918 20 0 JJADRM C[C@@H](NC(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O)c1ccc(OCC2CC2)c(F)c1 ZINC001457738931 1066907767 /nfs/dbraw/zinc/90/77/67/1066907767.db2.gz FDHSPFLSOGESSA-OAHLLOKOSA-N -1 0 456.539 4.630 20 0 JJADRM O=C(Nc1ccc(OC2COC2)cc1)c1nn(-c2c(Cl)cc(Cl)cc2Cl)cc1[O-] ZINC001457746853 1066909844 /nfs/dbraw/zinc/90/98/44/1066909844.db2.gz SZWOJXRCPWJHCY-UHFFFAOYSA-N -1 0 454.697 4.568 20 0 JJADRM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1ccc(-c2ccccc2)nc1C ZINC001457785350 1066919377 /nfs/dbraw/zinc/91/93/77/1066919377.db2.gz IACBLPPOBLLXDQ-XMMPIXPASA-N -1 0 454.574 4.910 20 0 JJADRM C[C@H]1CSCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)C1 ZINC001457787269 1066919699 /nfs/dbraw/zinc/91/96/99/1066919699.db2.gz JUOINDITEVOACY-CYBMUJFWSA-N -1 0 459.420 4.619 20 0 JJADRM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)[C@H](C)CSc1ccc(F)cc1 ZINC001457788639 1066920598 /nfs/dbraw/zinc/92/05/98/1066920598.db2.gz MYIGKVBBWIPZFR-XMSQKQJNSA-N -1 0 455.599 4.793 20 0 JJADRM COc1cccc([C@@H]2C[C@H]2NC(=O)c2nn(-c3c(Cl)cc(Cl)cc3Cl)cc2[O-])c1 ZINC001457807532 1066925427 /nfs/dbraw/zinc/92/54/27/1066925427.db2.gz TUBCMQCUEHDOFW-XJKSGUPXSA-N -1 0 452.725 4.833 20 0 JJADRM CC[C@@H]1C[C@H]1CNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC001457823601 1066928328 /nfs/dbraw/zinc/92/83/28/1066928328.db2.gz UFUZFRQMBLBDPK-OCCSQVGLSA-N -1 0 471.804 4.679 20 0 JJADRM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)C3CCCC3)ccc2Cl)cc1 ZINC001457851063 1066932266 /nfs/dbraw/zinc/93/22/66/1066932266.db2.gz GZTAPCQBHOHLAN-HNNXBMFYSA-N -1 0 450.988 4.848 20 0 JJADRM C[C@@H]1CN(c2cc(F)cc(NC(=O)c3cc(Br)cc(Cl)c3[O-])c2)C[C@H](C)O1 ZINC001457914355 1066941001 /nfs/dbraw/zinc/94/10/01/1066941001.db2.gz ULJLZJWCJNJRIC-PHIMTYICSA-N -1 0 457.727 4.813 20 0 JJADRM Cc1ccc(Sc2ncccc2C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)cc1C ZINC001457917236 1066941612 /nfs/dbraw/zinc/94/16/12/1066941612.db2.gz YWILHOIIVDLUEN-YJBOKZPZSA-N -1 0 451.514 4.521 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@H]2c2ccccc2Cl)ccc1C ZINC001457934692 1066943225 /nfs/dbraw/zinc/94/32/25/1066943225.db2.gz KXHJIUSUAYJAMJ-GHTZIAJQSA-N -1 0 470.978 4.744 20 0 JJADRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2)cc1NC(=O)C(F)(F)c1ccc(F)cc1 ZINC001448623622 1066944808 /nfs/dbraw/zinc/94/48/08/1066944808.db2.gz UBLFVKYWTRGCNY-UHFFFAOYSA-N -1 0 452.429 4.805 20 0 JJADRM CCc1c(NC(=O)c2ncc(Br)cc2[O-])cnn1-c1cccc(C(F)(F)F)c1 ZINC001448920039 1066970025 /nfs/dbraw/zinc/97/00/25/1066970025.db2.gz CRWLVTZOPHLQOQ-UHFFFAOYSA-N -1 0 455.234 4.569 20 0 JJADRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)NCC2(CC(C)C)CC2)c1 ZINC001545721021 1066975539 /nfs/dbraw/zinc/97/55/39/1066975539.db2.gz MDTUYDCCPNHCEB-UHFFFAOYSA-N -1 0 450.988 4.706 20 0 JJADRM O=C(Nc1nnc(-c2ccc(Cl)cc2F)s1)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC001449017090 1066977438 /nfs/dbraw/zinc/97/74/38/1066977438.db2.gz REYRELYWUIETSL-UHFFFAOYSA-N -1 0 450.282 4.795 20 0 JJADRM CSCc1ccc(CNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC001449161516 1066986151 /nfs/dbraw/zinc/98/61/51/1066986151.db2.gz LWFXWGBTIDOZSN-UHFFFAOYSA-N -1 0 458.580 4.728 20 0 JJADRM COc1cccc(S([O-])=CC(=O)N[C@H](c2c[nH]c3ccccc32)C(Cl)(Cl)Cl)c1 ZINC001449305941 1066997173 /nfs/dbraw/zinc/99/71/73/1066997173.db2.gz ATHALAVKBJGAPM-WRHNGFHOSA-N -1 0 459.782 4.512 20 0 JJADRM CCCCN(C(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1)[C@@H]1CCCC[C@H]1OC ZINC001449555640 1067014683 /nfs/dbraw/zinc/01/46/83/1067014683.db2.gz YYDJXEPMIFTOGF-NHCUHLMSSA-N -1 0 464.653 4.678 20 0 JJADRM COc1cccc(S([O-])=CC(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3s2)c1 ZINC001449605402 1067017235 /nfs/dbraw/zinc/01/72/35/1067017235.db2.gz NEOFZFGUZYROFD-JCOAXYOVSA-N -1 0 450.585 4.513 20 0 JJADRM COc1cccc(S([O-])=CC(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3s2)c1 ZINC001449605399 1067017250 /nfs/dbraw/zinc/01/72/50/1067017250.db2.gz NEOFZFGUZYROFD-BGOLNKOXSA-N -1 0 450.585 4.513 20 0 JJADRM COc1cccc(S([O-])=CC(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3s2)c1 ZINC001449605404 1067017342 /nfs/dbraw/zinc/01/73/42/1067017342.db2.gz NEOFZFGUZYROFD-ROTAYESASA-N -1 0 450.585 4.513 20 0 JJADRM Cc1cc(NC(=O)c2cc3ccccc3cc2[N-]S(C)(=O)=O)nn1-c1cccc(Cl)c1 ZINC001458394773 1067050330 /nfs/dbraw/zinc/05/03/30/1067050330.db2.gz XQFBVNYFWBGTDB-UHFFFAOYSA-N -1 0 454.939 4.611 20 0 JJADRM CSCC1CCC(NC(=O)c2ccc(Cl)cc2[N-]S(=O)(=O)c2ccccc2)CC1 ZINC001450200104 1067059315 /nfs/dbraw/zinc/05/93/15/1067059315.db2.gz YFPLGKXMQQLLKN-UHFFFAOYSA-N -1 0 453.029 4.792 20 0 JJADRM CCOC1(C)CCN(C(=O)c2cc3ccccc3cc2[N-]S(=O)(=O)c2cccs2)CC1 ZINC001450403061 1067076286 /nfs/dbraw/zinc/07/62/86/1067076286.db2.gz WWXMRNQMKYGFJI-UHFFFAOYSA-N -1 0 458.605 4.733 20 0 JJADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NCC2(c3ccccc3Br)CCC2)n1 ZINC001450669504 1067100745 /nfs/dbraw/zinc/10/07/45/1067100745.db2.gz KOXOAHNKQADPCP-UHFFFAOYSA-N -1 0 458.331 4.640 20 0 JJADRM COc1cccc(S([O-])=CC(=O)NC[C@@H](OCc2ccccc2)c2ccc(Cl)cc2)c1 ZINC001450840223 1067130221 /nfs/dbraw/zinc/13/02/21/1067130221.db2.gz YCMGWXPLWLVFFQ-SLGOVJDISA-N -1 0 457.979 4.531 20 0 JJADRM CN(C(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)c1ccc(-c2nccs2)cc1 ZINC001450926521 1067136018 /nfs/dbraw/zinc/13/60/18/1067136018.db2.gz OYFBRKQQETXCMA-UHFFFAOYSA-N -1 0 455.586 4.949 20 0 JJADRM C[C@@H](NC(=O)c1cc2ccccc2cc1[N-]S(=O)(=O)c1cccs1)c1cncc(F)c1 ZINC001451234336 1067154488 /nfs/dbraw/zinc/15/44/88/1067154488.db2.gz ZAMWZCRFWOTCEN-CQSZACIVSA-N -1 0 455.536 4.727 20 0 JJADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)NCc3cccc(NC(=O)c4ccccc4)c3)n2)c1 ZINC001545823068 1067164310 /nfs/dbraw/zinc/16/43/10/1067164310.db2.gz ZOXZKZAWEFBRKO-UHFFFAOYSA-N -1 0 454.530 4.884 20 0 JJADRM O=C(Nc1ccc2ccnc(Cl)c2c1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1O ZINC001451817262 1067193188 /nfs/dbraw/zinc/19/31/88/1067193188.db2.gz DIKQSKJZSLOTBH-UHFFFAOYSA-N -1 0 459.936 4.708 20 0 JJADRM O=C([N-]C[C@@H]1Cc2ccccc2N1C(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1)C(F)(F)F ZINC001451848414 1067194010 /nfs/dbraw/zinc/19/40/10/1067194010.db2.gz JQCYLQQRWINXAR-NSHDSACASA-N -1 0 456.251 4.725 20 0 JJADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@H]2C[C@@H](OC(C)(C)C)C2)c1C ZINC001452146635 1067209581 /nfs/dbraw/zinc/20/95/81/1067209581.db2.gz KVLVJPVVEKFHJG-BGYRXZFFSA-N -1 0 458.624 4.797 20 0 JJADRM O=C(Nc1n[nH]cc1C1CC1)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC001452243056 1067215826 /nfs/dbraw/zinc/21/58/26/1067215826.db2.gz MUVFTEBAJWOCCY-UHFFFAOYSA-N -1 0 451.335 4.647 20 0 JJADRM CC(C)(C)c1ccc2cc(C(=O)N3C[C@H]([N-]C(=O)C(F)(F)F)CC[C@H]3C(F)(F)F)[nH]c2c1 ZINC001452354653 1067220840 /nfs/dbraw/zinc/22/08/40/1067220840.db2.gz HALAKDYTOAEWRK-CJNGLKHVSA-N -1 0 463.422 4.679 20 0 JJADRM O=C([N-][C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2cc(-c3ccc(Cl)cc3)c[nH]2)C1)C(F)(F)F ZINC001452355323 1067220871 /nfs/dbraw/zinc/22/08/71/1067220871.db2.gz INPUTXJNWACPMF-HIFRSBDPSA-N -1 0 467.797 4.549 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)c1 ZINC001546105715 1067233167 /nfs/dbraw/zinc/23/31/67/1067233167.db2.gz TVIQDKOMTTUMSF-NZSAHSFTSA-N -1 0 458.580 4.747 20 0 JJADRM CCCOc1ccc(COC(=O)Cc2ccc([N-]S(=O)(=O)c3cccs3)cc2)c(C)c1 ZINC001452596388 1067235625 /nfs/dbraw/zinc/23/56/25/1067235625.db2.gz BQYZEFULUXRNND-UHFFFAOYSA-N -1 0 459.589 4.932 20 0 JJADRM C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC001459081615 1067247882 /nfs/dbraw/zinc/24/78/82/1067247882.db2.gz LNGBPVJAEUQMGL-GFCCVEGCSA-N -1 0 456.911 4.599 20 0 JJADRM CC(C)(C)OC(=O)c1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)c1 ZINC001452852371 1067257000 /nfs/dbraw/zinc/25/70/00/1067257000.db2.gz HHKIPKAYGRZNFS-UHFFFAOYSA-N -1 0 458.561 4.757 20 0 JJADRM CN(C(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-])C(C)(C)c1ccccc1 ZINC001452917233 1067264220 /nfs/dbraw/zinc/26/42/20/1067264220.db2.gz JKFGMTBJJPIRJD-UHFFFAOYSA-N -1 0 458.967 4.854 20 0 JJADRM C[C@@H](Oc1ccc([C@H](C)NC(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)cc1)c1ccccc1 ZINC001452958204 1067267651 /nfs/dbraw/zinc/26/76/51/1067267651.db2.gz MQWMPOWKSVSJLQ-DLBZAZTESA-N -1 0 459.571 4.853 20 0 JJADRM CC(C)(C)c1ccc(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@@H]([N-]C(=O)C(F)(F)F)C2)s1 ZINC001453125376 1067281422 /nfs/dbraw/zinc/28/14/22/1067281422.db2.gz JQCKICKLXIABFG-HOTGVXAUSA-N -1 0 456.505 4.862 20 0 JJADRM C[C@H](C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H]([N-]C(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 ZINC001453131752 1067282538 /nfs/dbraw/zinc/28/25/38/1067282538.db2.gz RJOVBUYDCHTINJ-AGRHKRQWSA-N -1 0 456.867 4.646 20 0 JJADRM CC(C)COc1cccc(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@@H]([N-]C(=O)C(F)(F)F)C2)c1 ZINC001453131520 1067282674 /nfs/dbraw/zinc/28/26/74/1067282674.db2.gz QDYXROZCCUBWNZ-SFTDATJTSA-N -1 0 466.475 4.537 20 0 JJADRM CC(C)(C)c1ccc(OCC(=O)N2CC[C@@H](c3ccc(F)cc3)[C@@H]([N-]C(=O)C(F)(F)F)C2)cc1 ZINC001453135319 1067283039 /nfs/dbraw/zinc/28/30/39/1067283039.db2.gz YVRUQBTZCLTEPC-SFTDATJTSA-N -1 0 480.502 4.565 20 0 JJADRM O=C(Cc1cc(Cl)cc(Cl)c1)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC001453685637 1067322412 /nfs/dbraw/zinc/32/24/12/1067322412.db2.gz SRGVKMHAZXYNHH-QZTJIDSGSA-N -1 0 459.295 4.599 20 0 JJADRM O=C(c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1)N1CCC[C@@H](C2CCC2)C1 ZINC001453686977 1067322705 /nfs/dbraw/zinc/32/27/05/1067322705.db2.gz YQQSRWBQFWYBRN-QGZVFWFLSA-N -1 0 450.963 4.932 20 0 JJADRM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc4cc(Cl)ccc4s3)cc2)n1 ZINC001460624434 1067676370 /nfs/dbraw/zinc/67/63/70/1067676370.db2.gz AWLFIMDRLYEDDK-UHFFFAOYSA-N -1 0 458.952 4.706 20 0 JJADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)N1CC[C@@H](c2cccc(F)c2)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001461414360 1067850164 /nfs/dbraw/zinc/85/01/64/1067850164.db2.gz AGAJMFWVVYFQCW-GKCIPKSASA-N -1 0 470.894 4.721 20 0 JJADRM CC/C(=C\C(=O)N1C[C@@H]([N-]C(=O)C(F)(F)F)CC[C@H]1C(F)(F)F)c1cccc(Cl)c1 ZINC001461573912 1067891128 /nfs/dbraw/zinc/89/11/28/1067891128.db2.gz HAUOBXRFDDUWLZ-WWUQSUGHSA-N -1 0 456.814 4.734 20 0 JJADRM CCOc1ccc(Br)cc1CN(Cc1ncc(Br)cc1[O-])C1CC1 ZINC001461949932 1067967468 /nfs/dbraw/zinc/96/74/68/1067967468.db2.gz QHFMPICZBOWAEE-UHFFFAOYSA-N -1 0 456.178 4.876 20 0 JJADRM COc1ccccc1[C@@H]1CCCN(C(=O)c2cc3ccccc3cc2[N-]S(C)(=O)=O)CC1 ZINC001462386289 1068063718 /nfs/dbraw/zinc/06/37/18/1068063718.db2.gz IAWDZJDMJSQLRG-GOSISDBHSA-N -1 0 452.576 4.630 20 0 JJADRM O=S(=O)(NCCc1ccc(OCc2ccccc2)cc1)c1cc(C(F)(F)F)ccc1[O-] ZINC001462852590 1068191106 /nfs/dbraw/zinc/19/11/06/1068191106.db2.gz KPAUIZYGQIKDEG-UHFFFAOYSA-N -1 0 451.466 4.511 20 0 JJADRM Cc1nc(S(=O)(=O)[N-][C@H](c2ccccc2)c2cccc(Cl)c2)sc1Br ZINC001462855052 1068192479 /nfs/dbraw/zinc/19/24/79/1068192479.db2.gz SVZBJCRHIKDCQO-OAHLLOKOSA-N -1 0 457.802 4.935 20 0 JJADRM CCOC(=O)c1nc(NC(=O)c2ccc(-c3nnc(-c4cccc(C)c4)o3)cc2)[n-]c1Cl ZINC001462919404 1068214387 /nfs/dbraw/zinc/21/43/87/1068214387.db2.gz JETTWEUTCNZKCF-UHFFFAOYSA-N -1 0 451.870 4.518 20 0 JJADRM CC[C@@H](Cc1ccc(Cl)cc1)[N-]S(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F ZINC001463073055 1068277373 /nfs/dbraw/zinc/27/73/73/1068277373.db2.gz HRXUKNVGAGVPPA-ZDUSSCGKSA-N -1 0 451.322 4.530 20 0 JJADRM O=S(=O)(c1cc(C(F)(F)F)ccc1[O-])N1CCC[C@H]1c1ccc(Br)cc1 ZINC001463253840 1068336084 /nfs/dbraw/zinc/33/60/84/1068336084.db2.gz NBLANXWBUZEOGS-AWEZNQCLSA-N -1 0 450.276 4.699 20 0 JJADRM O=S(=O)(c1cc(C(F)(F)F)ccc1[O-])N1CCC[C@@H]1c1ccc(Br)cc1 ZINC001463254805 1068336555 /nfs/dbraw/zinc/33/65/55/1068336555.db2.gz NBLANXWBUZEOGS-CQSZACIVSA-N -1 0 450.276 4.699 20 0 JJADRM COc1ccc([C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2Cl)C(F)(F)F)cc1 ZINC001463381182 1068378518 /nfs/dbraw/zinc/37/85/18/1068378518.db2.gz DDDMRKLKECJQHM-CQSZACIVSA-N -1 0 458.683 4.693 20 0 JJADRM O=C(Nc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1)[C@@H]1C[C@H]1C(F)(F)F ZINC001463558531 1068441812 /nfs/dbraw/zinc/44/18/12/1068441812.db2.gz AGSGHVDVMDFEIS-VXGBXAGGSA-N -1 0 453.269 4.931 20 0 JJADRM Cc1ccc(NC(=O)c2s[n-]c(=O)c2Cl)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC001463562898 1068444127 /nfs/dbraw/zinc/44/41/27/1068444127.db2.gz FKFQHOCJTHMKKG-UHFFFAOYSA-N -1 0 458.348 4.517 20 0 JJADRM Cc1ccc(NC(=O)c2cc(F)cc(F)c2[O-])cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC001463562138 1068444276 /nfs/dbraw/zinc/44/42/76/1068444276.db2.gz BQHZAIYNTNAEOG-UHFFFAOYSA-N -1 0 452.866 4.685 20 0 JJADRM CNc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3OC)c2)c(Cl)c1 ZINC001463606603 1068464106 /nfs/dbraw/zinc/46/41/06/1068464106.db2.gz ZCGKKHLLRBSGKT-UHFFFAOYSA-N -1 0 459.955 4.752 20 0 JJADRM C[C@H](NC(=O)c1cccc(I)c1[O-])C(c1ccccc1)c1ccccc1 ZINC001463811205 1068533303 /nfs/dbraw/zinc/53/33/03/1068533303.db2.gz YVUCIKWDMMCRDM-HNNXBMFYSA-N -1 0 457.311 4.947 20 0 JJADRM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cccc4cc[nH]c43)ccc2Cl)cc1 ZINC001463844538 1068545974 /nfs/dbraw/zinc/54/59/74/1068545974.db2.gz MJMVGRVWOYBSAH-UHFFFAOYSA-N -1 0 455.923 4.883 20 0 JJADRM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CC3CCSCC3)ccc2Cl)cc1 ZINC001463845663 1068546409 /nfs/dbraw/zinc/54/64/09/1068546409.db2.gz NLDNTNBEBKSGCN-UHFFFAOYSA-N -1 0 455.001 4.621 20 0 JJADRM CCN(Cc1ccccc1C)C(=O)c1ccc2c(c1)[n-]c(=S)n(CCc1ccccc1)c2=O ZINC001464067361 1068604251 /nfs/dbraw/zinc/60/42/51/1068604251.db2.gz UCJRWSISPWEYQO-UHFFFAOYSA-N -1 0 457.599 4.899 20 0 JJADRM Cc1nc(S(=O)(=O)[N-]C2(c3ccc(C(F)(F)F)cc3)CCC2)sc1Br ZINC001464131148 1068627845 /nfs/dbraw/zinc/62/78/45/1068627845.db2.gz XZAFSABXTXSZJN-UHFFFAOYSA-N -1 0 455.321 4.591 20 0 JJADRM CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cccs2)c1 ZINC001464223434 1068664367 /nfs/dbraw/zinc/66/43/67/1068664367.db2.gz FBOIRSDLSFCFLE-KRWDZBQOSA-N -1 0 452.504 4.623 20 0 JJADRM CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 ZINC001464311202 1068700778 /nfs/dbraw/zinc/70/07/78/1068700778.db2.gz RBHQKGYKSOSEDI-UHFFFAOYSA-N -1 0 456.376 4.665 20 0 JJADRM Cc1ccccc1OCCCN(C)C(=O)c1cc(Br)cc(Br)c1[O-] ZINC001464345383 1068713791 /nfs/dbraw/zinc/71/37/91/1068713791.db2.gz XORRMIIVXKDOFC-UHFFFAOYSA-N -1 0 457.162 4.767 20 0 JJADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)NCC3(c4cccc(Cl)c4)CCOCC3)n2)cc1 ZINC001464388644 1068728419 /nfs/dbraw/zinc/72/84/19/1068728419.db2.gz QHKWQYNZQCQVGB-UHFFFAOYSA-N -1 0 453.970 4.833 20 0 JJADRM CCCCc1nnc(NC(=O)c2cc(Cl)ccc2[N-]S(=O)(=O)c2ccccc2)s1 ZINC001464398632 1068731905 /nfs/dbraw/zinc/73/19/05/1068731905.db2.gz KFYFDIAZOSFCEC-UHFFFAOYSA-N -1 0 450.973 4.587 20 0 JJADRM CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2nccs2)cc1)[C@H](C)c1cc2ccccc2o1 ZINC001464447787 1068749427 /nfs/dbraw/zinc/74/94/27/1068749427.db2.gz DLZQEOARQJKJOX-OAHLLOKOSA-N -1 0 455.561 4.913 20 0 JJADRM CC(C)Oc1ccc([C@H](C)NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC001464478074 1068760758 /nfs/dbraw/zinc/76/07/58/1068760758.db2.gz YJJMCERXVIKRBA-KRWDZBQOSA-N -1 0 456.539 4.905 20 0 JJADRM CC(C)OCc1ccccc1CNC(=O)c1cc(Br)cc(Br)c1[O-] ZINC001464526086 1068772836 /nfs/dbraw/zinc/77/28/36/1068772836.db2.gz IKBCSZJCAGPAQV-UHFFFAOYSA-N -1 0 457.162 4.772 20 0 JJADRM CCOc1cccc([C@@H](C)NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)c(C)c2)c1 ZINC001464571755 1068786198 /nfs/dbraw/zinc/78/61/98/1068786198.db2.gz WKXORNXAUXUCON-QGZVFWFLSA-N -1 0 456.539 4.825 20 0 JJADRM COc1cc(F)c(S(=O)(=O)[N-][C@@H](c2ccc(Cl)cc2Cl)C(F)(F)F)c(F)c1 ZINC001464576202 1068788853 /nfs/dbraw/zinc/78/88/53/1068788853.db2.gz BWMOIPSQJNOBAD-AWEZNQCLSA-N -1 0 450.212 4.862 20 0 JJADRM Cc1cc(C(=O)Nc2ccc3[nH]c(C(C)(C)C)nc3c2)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC001464594274 1068793844 /nfs/dbraw/zinc/79/38/44/1068793844.db2.gz APQZZPQKVLBHBP-UHFFFAOYSA-N -1 0 454.474 4.683 20 0 JJADRM Cc1ccc(C)c(Sc2ccc(NC(=O)Cn3nc(C(=O)[O-])c4ccccc4c3=O)cc2)c1 ZINC000009317136 555092233 /nfs/dbraw/zinc/09/22/33/555092233.db2.gz PVXVBFQAEJRCOS-UHFFFAOYSA-N -1 0 459.527 4.501 20 0 JJADRM Cc1ccc(C(F)(F)C(=O)N[C@H](C)c2ccccc2[N-]S(=O)(=O)c2cccs2)cc1 ZINC001545853953 1064263781 /nfs/dbraw/zinc/26/37/81/1064263781.db2.gz XCTCDCVQBZLNHB-OAHLLOKOSA-N -1 0 450.532 4.827 20 0 JJADRM COc1ccc(-c2nsc([N-]C(=O)c3cc(-c4ccc(Br)cc4)no3)n2)cc1 ZINC001435057287 1064475554 /nfs/dbraw/zinc/47/55/54/1064475554.db2.gz ZVUPCJVYSRBPJJ-UHFFFAOYSA-N -1 0 457.309 4.884 20 0 JJADRM COc1ccc2oc([C@@H](C)NC(=O)c3cc4ccccc4cc3[N-]S(C)(=O)=O)c(C)c2c1 ZINC001360088326 1064953577 /nfs/dbraw/zinc/95/35/77/1064953577.db2.gz JCTBPWVEXZRONJ-OAHLLOKOSA-N -1 0 452.532 4.766 20 0 JJADRM Cc1cc(C2(C(=O)Nc3ccc(-c4nc(=O)o[n-]4)cc3)CCCCC2)ccc1Br ZINC001435924206 1065066380 /nfs/dbraw/zinc/06/63/80/1065066380.db2.gz ZFFNPMRRRWWHDI-UHFFFAOYSA-N -1 0 456.340 4.941 20 0 JJADRM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)c2cc(C)cc(C(=O)OC(C)(C)C)c2)c1 ZINC001436239470 1065271962 /nfs/dbraw/zinc/27/19/62/1065271962.db2.gz BVZADCBBIZLHHD-UHFFFAOYSA-N -1 0 450.457 4.690 20 0 JJADRM COc1c(Br)ccc(C)c1C(=O)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC001436242413 1065272421 /nfs/dbraw/zinc/27/24/21/1065272421.db2.gz NRZRLOWUESVPFH-UHFFFAOYSA-N -1 0 459.262 4.505 20 0 JJADRM CS(=O)(=O)[N-]c1ccccc1C(=O)NCC1(c2ccc(Cl)cc2Cl)CCCCC1 ZINC001545897075 1065297333 /nfs/dbraw/zinc/29/73/33/1065297333.db2.gz LTBZSEGBZPVCPZ-UHFFFAOYSA-N -1 0 455.407 4.997 20 0 JJADRM O=C(Nc1ccccc1OCc1cccc(Cl)c1)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC001360458969 1065359622 /nfs/dbraw/zinc/35/96/22/1065359622.db2.gz DAFZZPLEVAICJC-UHFFFAOYSA-N -1 0 452.816 4.943 20 0 JJADRM CCCOc1ccc(CCC(=O)N2CC[C@@H](c3cccc(F)c3)[C@@H]([N-]C(=O)C(F)(F)F)C2)cc1 ZINC001437472563 1065557746 /nfs/dbraw/zinc/55/77/46/1065557746.db2.gz CSSFGKWOFSBIKH-VXKWHMMOSA-N -1 0 480.502 4.610 20 0 JJADRM Cc1ccc(C)c(SCC(=O)N2CC[C@@H](c3cccc(F)c3)[C@@H]([N-]C(=O)C(F)(F)F)C2)c1 ZINC001437480829 1065560545 /nfs/dbraw/zinc/56/05/45/1065560545.db2.gz XDNCUKXQRPUROI-OALUTQOASA-N -1 0 468.516 4.598 20 0 JJADRM CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[N-]OCc1cccnc1 ZINC001545920503 1065790458 /nfs/dbraw/zinc/79/04/58/1065790458.db2.gz LUCFNLQCCQJRCV-BVZFJXPGSA-N -1 0 459.546 4.583 20 0 JJADRM CCOC(=O)c1nc(NC(=O)[C@@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)[n-]c1Cl ZINC001439500856 1065835423 /nfs/dbraw/zinc/83/54/23/1065835423.db2.gz RGEUIRXKAFMQEF-INIZCTEOSA-N -1 0 452.269 4.791 20 0 JJADRM CC(C)C[C@@H](NC(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1)c1cccc(C(F)(F)F)c1 ZINC001360812200 1065925315 /nfs/dbraw/zinc/92/53/15/1065925315.db2.gz RXDQRQSNWOWIDL-OAHLLOKOSA-N -1 0 450.379 4.994 20 0 JJADRM C[C@@H](CC(=O)Nc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1)[C@H]1CCCO1 ZINC001440380189 1065934880 /nfs/dbraw/zinc/93/48/80/1065934880.db2.gz PTQXADDSJCULJZ-SCLBCKFNSA-N -1 0 457.379 4.938 20 0 JJADRM Cn1ccnc1Sc1ccc(NC(=O)c2nn(-c3ccccc3C(F)(F)F)cc2[O-])cc1 ZINC001440969355 1065997786 /nfs/dbraw/zinc/99/77/86/1065997786.db2.gz VIUXCGFRYSCNCA-UHFFFAOYSA-N -1 0 459.453 4.734 20 0 JJADRM CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC001440974054 1065998368 /nfs/dbraw/zinc/99/83/68/1065998368.db2.gz RNBOSKIPZCXBML-UHFFFAOYSA-N -1 0 458.362 4.934 20 0 JJADRM O=C(NC[C@@H]1CCCc2ccccc21)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC001441075731 1066006090 /nfs/dbraw/zinc/00/60/90/1066006090.db2.gz HJMOCMKFKJPSTC-SFHVURJKSA-N -1 0 454.979 4.991 20 0 JJADRM O=C(NCc1ccccc1C(F)(F)F)c1cc(Br)c([O-])c(Br)c1 ZINC001441109244 1066008363 /nfs/dbraw/zinc/00/83/63/1066008363.db2.gz GLDVMVGWQNBJSR-UHFFFAOYSA-N -1 0 453.052 4.866 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)NC[C@@H](c2ccccc2)C(C)C)c1 ZINC001441174139 1066011709 /nfs/dbraw/zinc/01/17/09/1066011709.db2.gz SAEDYTRITMOZIG-JOCHJYFZSA-N -1 0 452.576 4.666 20 0 JJADRM C[C@@H]1CCC[C@@H](NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Br)cc2)C1 ZINC001441245613 1066019548 /nfs/dbraw/zinc/01/95/48/1066019548.db2.gz HBOQKRUKSYYHDK-GDBMZVCRSA-N -1 0 451.386 4.558 20 0 JJADRM C[C@@H](Sc1ccc(F)cc1)C(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cccs2)c1 ZINC001441547055 1066049781 /nfs/dbraw/zinc/04/97/81/1066049781.db2.gz JRICRAIJCHRIBA-GFCCVEGCSA-N -1 0 454.545 4.946 20 0 JJADRM C[C@@H](c1cccs1)N(C)C(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1[O-] ZINC001441641289 1066057104 /nfs/dbraw/zinc/05/71/04/1066057104.db2.gz IPEDPENVIAQHDU-ZDUSSCGKSA-N -1 0 450.969 4.741 20 0 JJADRM CN(C(=O)c1ccc(NC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])cc1)C1CCCCC1 ZINC001442083886 1066091734 /nfs/dbraw/zinc/09/17/34/1066091734.db2.gz LXUKUAMVMYJEQR-UHFFFAOYSA-N -1 0 452.942 4.888 20 0 JJADRM CN(CCCCNC(=O)c1cc(Br)c([O-])c(Br)c1)c1ccccc1 ZINC001442091789 1066092327 /nfs/dbraw/zinc/09/23/27/1066092327.db2.gz FQKFOHYRXOTWKH-UHFFFAOYSA-N -1 0 456.178 4.564 20 0 JJADRM O=C(NCC1(c2ccc3c(c2)OCO3)CCCCC1)c1cc(Br)c(F)cc1[O-] ZINC001442241326 1066107264 /nfs/dbraw/zinc/10/72/64/1066107264.db2.gz YDFRHLSIMOCLNZ-UHFFFAOYSA-N -1 0 450.304 4.654 20 0 JJADRM CN(Cc1ccccc1)c1ccccc1NC(=O)c1ccc(I)cc1[O-] ZINC001442252617 1066108452 /nfs/dbraw/zinc/10/84/52/1066108452.db2.gz PKWJUAOVCLHMLJ-UHFFFAOYSA-N -1 0 458.299 4.886 20 0 JJADRM Cc1[nH]c2ccc(CNC(=O)c3cc(Br)cc(Br)c3[O-])cc2c1C ZINC001442410413 1066126215 /nfs/dbraw/zinc/12/62/15/1066126215.db2.gz FODLUGAGLQRPJA-UHFFFAOYSA-N -1 0 452.146 4.945 20 0 JJADRM O=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC001442526167 1066132647 /nfs/dbraw/zinc/13/26/47/1066132647.db2.gz MONAAWRKTCDSRE-UHFFFAOYSA-N -1 0 455.465 4.516 20 0 JJADRM C[C@@H](CNC(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-])N1CCc2ccccc21 ZINC001442752803 1066156870 /nfs/dbraw/zinc/15/68/70/1066156870.db2.gz WGIMGCJOAAERLF-AWEZNQCLSA-N -1 0 455.967 4.540 20 0 JJADRM CC(C)(C)[C@H]1CCCC[C@H]1CNC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccco1)c2=O ZINC001442755829 1066157220 /nfs/dbraw/zinc/15/72/20/1066157220.db2.gz OHWYIAOGPQOEFK-PXNSSMCTSA-N -1 0 453.608 4.909 20 0 JJADRM Cc1ccc(OCCNC(=O)c2ccccc2[N-]S(=O)(=O)c2cc(C)ccc2C)c(C)c1 ZINC001442772256 1066221214 /nfs/dbraw/zinc/22/12/14/1066221214.db2.gz VZCLUZMADYDMIR-UHFFFAOYSA-N -1 0 452.576 4.530 20 0 JJADRM O=C(Nc1ccccc1)Nc1cccc(CNC(=O)c2cc(Br)cc(F)c2[O-])c1 ZINC001442870613 1066235528 /nfs/dbraw/zinc/23/55/28/1066235528.db2.gz VAEQOWVBUCGEPD-UHFFFAOYSA-N -1 0 458.287 4.868 20 0 JJADRM O=C(CCCCCn1c(=O)c2ccccc2[n-]c1=S)Nc1ccc(OC2CCCC2)nc1 ZINC001442936296 1066243632 /nfs/dbraw/zinc/24/36/32/1066243632.db2.gz FCSRUPGKDXGGTL-UHFFFAOYSA-N -1 0 452.580 4.601 20 0 JJADRM O=C(Nc1cccc(NC2CCCC2)c1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1O ZINC001454182023 1066251147 /nfs/dbraw/zinc/25/11/47/1066251147.db2.gz JJEAJVZDQFEBAQ-UHFFFAOYSA-N -1 0 457.577 4.861 20 0 JJADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)Nc1nc(C2CC2)c(Cc2ccccc2Cl)s1 ZINC001443008866 1066251887 /nfs/dbraw/zinc/25/18/87/1066251887.db2.gz HBFZOGKUJASDGD-HNNXBMFYSA-N -1 0 459.921 4.906 20 0 JJADRM Cc1cnc2c(NC(=O)c3ccc(S(=O)(=O)[N-]c4nccs4)cc3)cccc2c1Cl ZINC001454221922 1066255607 /nfs/dbraw/zinc/25/56/07/1066255607.db2.gz NWZPESZVOGDVSD-UHFFFAOYSA-N -1 0 458.952 4.706 20 0 JJADRM CCCN1Cc2cccc(NC(=O)CCCCCn3c(=O)c4ccccc4[n-]c3=S)c2C1 ZINC001443094444 1066265910 /nfs/dbraw/zinc/26/59/10/1066265910.db2.gz XOOLOORBFCIYBO-UHFFFAOYSA-N -1 0 450.608 4.610 20 0 JJADRM O=C(NCc1csc(C(F)(F)F)c1)c1cc(Br)cc(Br)c1[O-] ZINC001454488353 1066291177 /nfs/dbraw/zinc/29/11/77/1066291177.db2.gz CVWXPLPSMZDZFO-UHFFFAOYSA-N -1 0 459.081 4.928 20 0 JJADRM O=C(NC[C@@H]1CCCCN1Cc1cccc(Cl)c1)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC001443352362 1066298697 /nfs/dbraw/zinc/29/86/97/1066298697.db2.gz CMRQMZWRSKMMEW-FQEVSTJZSA-N -1 0 459.377 4.669 20 0 JJADRM O=C(Nc1nc(-c2cccc(Br)c2)cs1)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC001443370911 1066303090 /nfs/dbraw/zinc/30/30/90/1066303090.db2.gz NVQUEVSEDDWOTA-UHFFFAOYSA-N -1 0 459.300 4.855 20 0 JJADRM CC(C)(C)OC(=O)N1CCOc2cc(NC(=O)c3cccc(C(F)(F)F)c3[O-])ccc2C1 ZINC001454610637 1066309964 /nfs/dbraw/zinc/30/99/64/1066309964.db2.gz XUBAEDGBFKGZIK-UHFFFAOYSA-N -1 0 452.429 4.793 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)cc1 ZINC001454698901 1066321989 /nfs/dbraw/zinc/32/19/89/1066321989.db2.gz BGUADMUGVAHBHK-FGZHOGPDSA-N -1 0 450.560 4.562 20 0 JJADRM Cc1ccc([C@@H]2CSCCN2C(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1 ZINC001443831030 1066373174 /nfs/dbraw/zinc/37/31/74/1066373174.db2.gz MVFQBVYCAPFAAD-FQEVSTJZSA-N -1 0 458.630 4.788 20 0 JJADRM COC(=O)CCc1cccc(NC(=O)c2ccsc2NC(=O)c2ccc(Cl)cc2[O-])c1 ZINC001455228793 1066373280 /nfs/dbraw/zinc/37/32/80/1066373280.db2.gz YGMYENLKKDKAIF-UHFFFAOYSA-N -1 0 458.923 4.717 20 0 JJADRM Cc1ccc([C@H]2CCN(C(=O)c3ccc([N-]S(=O)(=O)C(F)(F)F)c(C)c3)C2(C)C)cc1 ZINC001455282691 1066380102 /nfs/dbraw/zinc/38/01/02/1066380102.db2.gz GKWUYIXONRJFBO-GOSISDBHSA-N -1 0 454.514 4.973 20 0 JJADRM COCCCn1c(=O)c2ccc(C(=O)N[C@@H](CC(C)C)c3ccccc3C)cc2[n-]c1=S ZINC001443963582 1066387918 /nfs/dbraw/zinc/38/79/18/1066387918.db2.gz HWTKZCISRFNSCM-NRFANRHFSA-N -1 0 453.608 4.547 20 0 JJADRM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC001455821812 1066438217 /nfs/dbraw/zinc/43/82/17/1066438217.db2.gz PZMNBBFRJONIKF-SPLQCWDRSA-N -1 0 452.498 4.528 20 0 JJADRM O=C(NCC[C@@H]1CC[C@@H]2C[C@@H]21)c1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC001455850403 1066441385 /nfs/dbraw/zinc/44/13/85/1066441385.db2.gz MDFNVOLVSAXHFZ-PMUMKWKESA-N -1 0 453.391 4.960 20 0 JJADRM Cc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)s1 ZINC001455935147 1066455173 /nfs/dbraw/zinc/45/51/73/1066455173.db2.gz SSBAMWLIPGIOKR-UHFFFAOYSA-N -1 0 450.545 4.567 20 0 JJADRM Cc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(Cl)cc4ccccc43)cc2)s1 ZINC001455937255 1066455815 /nfs/dbraw/zinc/45/58/15/1066455815.db2.gz DQJZBGWRUWFHCE-UHFFFAOYSA-N -1 0 458.952 4.706 20 0 JJADRM CON(C[C@H]1CCCc2ccccc21)C(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC001455976177 1066465197 /nfs/dbraw/zinc/46/51/97/1066465197.db2.gz HTNJVCRYWBFKDG-LJQANCHMSA-N -1 0 456.589 4.673 20 0 JJADRM CC(C)CCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC001444486547 1066465813 /nfs/dbraw/zinc/46/58/13/1066465813.db2.gz RSASHYZGPLDQFQ-UHFFFAOYSA-N -1 0 459.431 4.868 20 0 JJADRM CCSCC[C@@H](C)N(C)C(=O)c1ccc2c(c1)[n-]c(=S)n(CCc1ccccc1)c2=O ZINC001444693090 1066493688 /nfs/dbraw/zinc/49/36/88/1066493688.db2.gz YOEMQAKIDHSYFA-QGZVFWFLSA-N -1 0 455.649 4.532 20 0 JJADRM Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)c2ccc([N-]S(=O)(=O)C(F)(F)F)c(C)c2)cc1 ZINC001444750627 1066501114 /nfs/dbraw/zinc/50/11/14/1066501114.db2.gz LMXTWDXWJRFNFS-QUCCMNQESA-N -1 0 454.514 4.973 20 0 JJADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC001444831261 1066510447 /nfs/dbraw/zinc/51/04/47/1066510447.db2.gz ZHMSKGCGEYICOM-INIZCTEOSA-N -1 0 452.439 4.727 20 0 JJADRM CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1[O-] ZINC001445051768 1066534086 /nfs/dbraw/zinc/53/40/86/1066534086.db2.gz FVAJFRVUIOYFSA-MGPUTAFESA-N -1 0 450.988 4.887 20 0 JJADRM O=C(CCOc1ccc2ccccc2c1)Nc1cccc(S(=O)(=O)[N-]c2nccs2)c1 ZINC001445078946 1066536869 /nfs/dbraw/zinc/53/68/69/1066536869.db2.gz JTCUJBLHSRPZCK-UHFFFAOYSA-N -1 0 453.545 4.505 20 0 JJADRM CC[C@@H](Oc1ccccc1C(C)C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2nccs2)c1 ZINC001445084364 1066538074 /nfs/dbraw/zinc/53/80/74/1066538074.db2.gz UPEVDILPSNCLQU-LJQANCHMSA-N -1 0 459.593 4.863 20 0 JJADRM O=C(Nc1c2ccccc2[nH]c1-c1ccccc1)c1cnc(I)c([O-])c1 ZINC001456327873 1066563244 /nfs/dbraw/zinc/56/32/44/1066563244.db2.gz CIBGPVYLCANVMR-UHFFFAOYSA-N -1 0 455.255 4.792 20 0 JJADRM CC1(C)CN(C(=O)c2ccc3oc(=S)[n-]c3c2)[C@@H]1c1nccn1COCC[Si](C)(C)C ZINC001456363730 1066571755 /nfs/dbraw/zinc/57/17/55/1066571755.db2.gz XAMNXCLVCZDAHZ-GOSISDBHSA-N -1 0 458.660 4.849 20 0 JJADRM Cc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)Nc2cc(C3CCCCC3)nn2C)cc1 ZINC001445517234 1066579783 /nfs/dbraw/zinc/57/97/83/1066579783.db2.gz HYLQENQQXSHCNH-UHFFFAOYSA-N -1 0 458.609 4.891 20 0 JJADRM O=C(Nc1cnn(-c2ccccc2F)c1)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC001445526481 1066582705 /nfs/dbraw/zinc/58/27/05/1066582705.db2.gz RYZNYXZCSCXKMC-UHFFFAOYSA-N -1 0 456.886 4.937 20 0 JJADRM CSCc1cc(F)ccc1CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC001445531505 1066583789 /nfs/dbraw/zinc/58/37/89/1066583789.db2.gz RMJWSZSUYZGGRT-UHFFFAOYSA-N -1 0 458.580 4.728 20 0 JJADRM CCCNc1ccc(C(F)(F)F)cc1NC(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC001446109216 1066661208 /nfs/dbraw/zinc/66/12/08/1066661208.db2.gz YEMYORWEEXFMFG-UHFFFAOYSA-N -1 0 450.486 4.555 20 0 JJADRM CCCOc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)cc1 ZINC001446195891 1066674280 /nfs/dbraw/zinc/67/42/80/1066674280.db2.gz YNZGMTZOZVBWDW-UHFFFAOYSA-N -1 0 454.548 4.846 20 0 JJADRM Cc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])cc(C)c1OCC(=O)N1CCCCC1 ZINC001446232313 1066675748 /nfs/dbraw/zinc/67/57/48/1066675748.db2.gz NCRQJHYHKXFISQ-UHFFFAOYSA-N -1 0 451.350 4.959 20 0 JJADRM C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC001446272071 1066682437 /nfs/dbraw/zinc/68/24/37/1066682437.db2.gz JHQSAAKOMRJZMI-JEBQAFNWSA-N -1 0 462.543 4.808 20 0 JJADRM C[C@H](NC(=O)c1cccc2cccc(O)c21)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC001446276451 1066683774 /nfs/dbraw/zinc/68/37/74/1066683774.db2.gz QTESKBUFRYXSAT-HNNXBMFYSA-N -1 0 452.557 4.899 20 0 JJADRM CC1(C)CC[C@@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Br)s3)cc2)C1 ZINC001446279021 1066684372 /nfs/dbraw/zinc/68/43/72/1066684372.db2.gz YZJOWXNKVZSKOR-CQSZACIVSA-N -1 0 457.415 4.620 20 0 JJADRM O=C(CCCc1csc2ccccc12)Nc1ccc(S(=O)(=O)[N-]c2nncs2)cc1 ZINC001446279533 1066685354 /nfs/dbraw/zinc/68/53/54/1066685354.db2.gz CXPGWMZPDSYZGL-UHFFFAOYSA-N -1 0 458.590 4.515 20 0 JJADRM O=C(NC(Cc1ccccc1F)Cc1ccccc1F)c1nn(-c2cccc(F)c2)cc1[O-] ZINC001446383053 1066699951 /nfs/dbraw/zinc/69/99/51/1066699951.db2.gz XEUNPERNQABKDU-UHFFFAOYSA-N -1 0 451.448 4.579 20 0 JJADRM O=C(Nc1ccc(O)c(Cl)c1)c1ccc2c(=O)n(CCc3ccccc3)c(=S)[n-]c2c1 ZINC001446465946 1066706922 /nfs/dbraw/zinc/70/69/22/1066706922.db2.gz IEFLMFZVMVSMLC-UHFFFAOYSA-N -1 0 451.935 4.539 20 0 JJADRM CCOc1ccc([C@@H](NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)c2cccc(Cl)c2)cc1 ZINC001446514565 1066712801 /nfs/dbraw/zinc/71/28/01/1066712801.db2.gz HNYPHYZFNQCDPS-RBUKOAKNSA-N -1 0 456.892 4.647 20 0 JJADRM COCC[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2C(F)(F)F)cc1[O-])c1ccc(C)o1 ZINC001447004173 1066764565 /nfs/dbraw/zinc/76/45/65/1066764565.db2.gz AUQMJSPQDOWFNB-CQSZACIVSA-N -1 0 457.836 4.659 20 0 JJADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N[C@@H]1CCCCC[C@H]1c1ccccc1C(F)(F)F ZINC001447006167 1066764907 /nfs/dbraw/zinc/76/49/07/1066764907.db2.gz DIGOUEGZUFZABL-UAGQMJEPSA-N -1 0 452.439 4.941 20 0 JJADRM CCC1(CC)[C@H](NC(=O)c2ccsc2NC(=O)c2ccc(Cl)cc2[O-])[C@@H](C)[C@H]1OC ZINC001447023826 1066767331 /nfs/dbraw/zinc/76/73/31/1066767331.db2.gz MDHKOHARARRVRW-NXOUGTEYSA-N -1 0 450.988 4.929 20 0 JJADRM CCC[C@](C)(NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2OC)c1)c1ccccc1 ZINC001457134716 1066769747 /nfs/dbraw/zinc/76/97/47/1066769747.db2.gz YBIWFELJTTWMQJ-VWLOTQADSA-N -1 0 452.576 4.941 20 0 JJADRM COC(=O)c1csc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2cc(C)ccc2C)c1C ZINC001447108473 1066774077 /nfs/dbraw/zinc/77/40/77/1066774077.db2.gz JXJLRMUNKFUYSB-UHFFFAOYSA-N -1 0 458.561 4.513 20 0 JJADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCO[C@@H](c4ccc(OC(F)F)cc4)C3)n2)cc1 ZINC001447248091 1066784964 /nfs/dbraw/zinc/78/49/64/1066784964.db2.gz HASWVZXFRMRAEO-OAQYLSRUSA-N -1 0 457.477 4.516 20 0 JJADRM CCN(CCC1CC1)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC001447396111 1066803263 /nfs/dbraw/zinc/80/32/63/1066803263.db2.gz DRLJULDYJWGWOB-UHFFFAOYSA-N -1 0 451.386 4.512 20 0 JJADRM C[C@@H](Oc1ccc(C(=O)N[C@@H](c2nnn[n-]2)c2ccc(Cl)c(F)c2)cc1)c1ccccc1 ZINC001447445357 1066810328 /nfs/dbraw/zinc/81/03/28/1066810328.db2.gz HOTHRZGZDBZMJG-SPLOXXLWSA-N -1 0 451.889 4.652 20 0 JJADRM C[C@H](NC(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-])C1CCCCCC1 ZINC001447504360 1066816872 /nfs/dbraw/zinc/81/68/72/1066816872.db2.gz DRYSATKXAKMWCS-HNNXBMFYSA-N -1 0 450.988 4.935 20 0 JJADRM CC(C)(C)OC(=O)Nc1ccc2c(c1)CCCN2C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC001457417580 1066826809 /nfs/dbraw/zinc/82/68/09/1066826809.db2.gz PXGJDIUNYCMNHE-UHFFFAOYSA-N -1 0 452.486 4.657 20 0 JJADRM O=C(NCCCOc1ccccc1F)c1nn(-c2c(Cl)cc(Cl)cc2Cl)cc1[O-] ZINC001457471128 1066838400 /nfs/dbraw/zinc/83/84/00/1066838400.db2.gz QBBYZHYAFFOVDV-UHFFFAOYSA-N -1 0 458.704 4.876 20 0 JJADRM CN(Cc1cc(Br)ccc1Cl)C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC001447690080 1066842041 /nfs/dbraw/zinc/84/20/41/1066842041.db2.gz NYFPUYKHHWJJRU-UHFFFAOYSA-N -1 0 455.139 4.919 20 0 JJADRM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N(C)C/C(C)=C/c2ccccc2)cc1 ZINC001447719958 1066847027 /nfs/dbraw/zinc/84/70/27/1066847027.db2.gz BGNQFAOFICRQHS-HTXNQAPBSA-N -1 0 450.560 4.672 20 0 JJADRM O=C(Cc1c[nH]c2ccc(Cl)cc12)Nc1ncc(C([O-])(C(F)(F)F)C(F)(F)F)s1 ZINC001457525244 1066851525 /nfs/dbraw/zinc/85/15/25/1066851525.db2.gz LEYJZGWNZVUROY-UHFFFAOYSA-N -1 0 457.783 4.771 20 0 JJADRM Nc1c(Cl)cc(C(=O)Nc2ncc(C([O-])(C(F)(F)F)C(F)(F)F)s2)cc1Cl ZINC001457527655 1066852375 /nfs/dbraw/zinc/85/23/75/1066852375.db2.gz VNNHFCRTSJBQFK-UHFFFAOYSA-N -1 0 454.179 4.597 20 0 JJADRM CC(C)(C)O[C@@H](C(=O)Nc1ncc(C([O-])(C(F)(F)F)C(F)(F)F)s1)c1ccccc1 ZINC001457528487 1066852853 /nfs/dbraw/zinc/85/28/53/1066852853.db2.gz XFPOEWTXVMQSST-GFCCVEGCSA-N -1 0 456.408 4.950 20 0 JJADRM O=C(NC1CCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])CC1)c1ccc(F)cc1 ZINC001457528497 1066852954 /nfs/dbraw/zinc/85/29/54/1066852954.db2.gz XGGYIOPOJNBFDO-UHFFFAOYSA-N -1 0 452.913 4.886 20 0 JJADRM Cc1cc(C(C)(C)C)cc(S(=O)(=O)[N-]c2ccccc2C(=O)NC[C@H]2CCC=CO2)c1C ZINC001447761990 1066854983 /nfs/dbraw/zinc/85/49/83/1066854983.db2.gz JQVKIZDLNIBYGZ-HXUWFJFHSA-N -1 0 456.608 4.824 20 0 JJADRM Cc1cc(Br)cc(NC(=O)C[C@@H](NC(=O)c2ccc(O)cc2)c2ccccc2)c1 ZINC001447935342 1066878130 /nfs/dbraw/zinc/87/81/30/1066878130.db2.gz AKQWZDBSXOQALX-OAQYLSRUSA-N -1 0 453.336 4.963 20 0 JJADRM COCc1cc(CNC(=O)c2nn(-c3c(Cl)cc(Cl)cc3Cl)cc2[O-])ccc1F ZINC001457630282 1066886262 /nfs/dbraw/zinc/88/62/62/1066886262.db2.gz CLFGNORPGZYQDH-UHFFFAOYSA-N -1 0 458.704 4.754 20 0 JJADRM CC(C)(C)OC(=O)Nc1cccc2c1N(C(=O)c1nn(-c3ccc(Cl)cc3)cc1[O-])CC2 ZINC001448029127 1066892181 /nfs/dbraw/zinc/89/21/81/1066892181.db2.gz JLWIITYIKMMJGI-UHFFFAOYSA-N -1 0 454.914 4.781 20 0 JJADRM O=C(Nc1ccc2c(c1)NC(=O)CC2)c1nn(-c2c(Cl)cc(Cl)cc2Cl)cc1[O-] ZINC001457669999 1066894451 /nfs/dbraw/zinc/89/44/51/1066894451.db2.gz NZJAMEXOYTUZKY-UHFFFAOYSA-N -1 0 451.697 4.675 20 0 JJADRM CCn1c2cc(Br)ccc2nc1NC(=O)c1cc(Br)cc(F)c1[O-] ZINC001457730492 1066905765 /nfs/dbraw/zinc/90/57/65/1066905765.db2.gz HXSZTUIDXQLCOY-UHFFFAOYSA-N -1 0 457.097 4.678 20 0 JJADRM CC(C)(C)OC(=O)N1CC[C@]2(C(=O)Nc3cc(Br)cc(Cl)c3[O-])CCC[C@H]12 ZINC001457733288 1066906257 /nfs/dbraw/zinc/90/62/57/1066906257.db2.gz IITYBHIAJFKPCP-IFXJQAMLSA-N -1 0 459.768 4.926 20 0 JJADRM O=C(N[C@H](C(=O)Nc1cc(Br)cc(Cl)c1[O-])c1ccccc1)c1ccccc1 ZINC001457734042 1066906353 /nfs/dbraw/zinc/90/63/53/1066906353.db2.gz JSKPTQSMQNOZFR-SFHVURJKSA-N -1 0 459.727 4.918 20 0 JJADRM O=C(c1nn(-c2c(Cl)cc(Cl)cc2Cl)cc1[O-])N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC001457734638 1066906660 /nfs/dbraw/zinc/90/66/60/1066906660.db2.gz YUUASTCETBTQIJ-QWHCGFSZSA-N -1 0 458.773 4.817 20 0 JJADRM O=C(N[C@H]1CCOc2c(F)cccc21)c1nn(-c2c(Cl)cc(Cl)cc2Cl)cc1[O-] ZINC001457751338 1066911011 /nfs/dbraw/zinc/91/10/11/1066911011.db2.gz ATHMJWWYTDXGFC-AWEZNQCLSA-N -1 0 456.688 4.931 20 0 JJADRM Cc1cc(C)cc([C@@H](O)CNC(=O)c2nn(-c3c(Cl)cc(Cl)cc3Cl)cc2[O-])c1 ZINC001457770098 1066915184 /nfs/dbraw/zinc/91/51/84/1066915184.db2.gz NWBHICMAIXIJRC-INIZCTEOSA-N -1 0 454.741 4.618 20 0 JJADRM O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC001448357218 1066919541 /nfs/dbraw/zinc/91/95/41/1066919541.db2.gz VFOFSMKZWQAHHI-RUCARUNLSA-N -1 0 458.942 4.956 20 0 JJADRM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)[C@@H](C)CSc1ccc(F)cc1 ZINC001457788625 1066920212 /nfs/dbraw/zinc/92/02/12/1066920212.db2.gz MYIGKVBBWIPZFR-AVRDEDQJSA-N -1 0 455.599 4.793 20 0 JJADRM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)[C@H](C)Oc1ccc2ccccc2c1 ZINC001457788661 1066920528 /nfs/dbraw/zinc/92/05/28/1066920528.db2.gz NCZVTDLDCLVOCR-CPJSRVTESA-N -1 0 457.574 4.846 20 0 JJADRM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1c(CC)onc1-c1ccccc1 ZINC001457789637 1066921393 /nfs/dbraw/zinc/92/13/93/1066921393.db2.gz OTXMDJXOVFBHPG-NRFANRHFSA-N -1 0 458.562 4.757 20 0 JJADRM Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)c2cc(F)cc(Cl)c2[O-])C1 ZINC001457806819 1066925015 /nfs/dbraw/zinc/92/50/15/1066925015.db2.gz ONDOTWVKVSNXPM-OAHLLOKOSA-N -1 0 455.755 4.963 20 0 JJADRM CC[C@H]1CCC[C@H]1CNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2OC)c1 ZINC001457817485 1066927503 /nfs/dbraw/zinc/92/75/03/1066927503.db2.gz GCFDUPSARWKFLJ-RDJZCZTQSA-N -1 0 450.988 4.706 20 0 JJADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCC(c3ccc(Br)cc3)CC2)n1 ZINC001448439219 1066927597 /nfs/dbraw/zinc/92/75/97/1066927597.db2.gz ZDPGEXYKFWAJKC-UHFFFAOYSA-N -1 0 458.331 4.808 20 0 JJADRM O=C(Nc1cccc(NS(=O)(=O)Cc2ccccc2)c1)c1c([O-])cc(Cl)cc1Cl ZINC001457849639 1066931814 /nfs/dbraw/zinc/93/18/14/1066931814.db2.gz AQACMZMDMYTRIL-UHFFFAOYSA-N -1 0 451.331 4.893 20 0 JJADRM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H]3C[C@H]3c3ccccc3F)ccc2Cl)cc1 ZINC001457856650 1066932292 /nfs/dbraw/zinc/93/22/92/1066932292.db2.gz QWAYZDHQAUDCNF-GHTZIAJQSA-N -1 0 474.941 4.574 20 0 JJADRM O=C(Nc1n[nH]cc1C1CC1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC001457880208 1066934888 /nfs/dbraw/zinc/93/48/88/1066934888.db2.gz NAXGDYWCZNNFNZ-UHFFFAOYSA-N -1 0 451.335 4.647 20 0 JJADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2)ccc1F ZINC001448608766 1066941407 /nfs/dbraw/zinc/94/14/07/1066941407.db2.gz ADCAHWXNXAECGN-SIKLNZKXSA-N -1 0 458.942 4.874 20 0 JJADRM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 ZINC001457916111 1066941502 /nfs/dbraw/zinc/94/15/02/1066941502.db2.gz VXWQUNUXNVEZKJ-LRDDRELGSA-N -1 0 474.405 4.516 20 0 JJADRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2)cc1NC(=O)CCn1ccc2ccccc21 ZINC001448621851 1066944348 /nfs/dbraw/zinc/94/43/48/1066944348.db2.gz PWPFHKGIZHRRMA-UHFFFAOYSA-N -1 0 451.523 4.918 20 0 JJADRM O=C(NCCC1(O)CCN(c2ccccc2)CC1)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC001457971499 1066950228 /nfs/dbraw/zinc/95/02/28/1066950228.db2.gz JWXYQFFKVHTOKC-UHFFFAOYSA-N -1 0 450.966 4.864 20 0 JJADRM CO[C@@H]1CCOc2c(NC(=O)c3cc(Br)c([O-])c(Br)c3)cccc21 ZINC001448755518 1066955634 /nfs/dbraw/zinc/95/56/34/1066955634.db2.gz QSLZZUKAULIFQF-CQSZACIVSA-N -1 0 457.118 4.640 20 0 JJADRM O=C(c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1[O-])N1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC001458030883 1066958677 /nfs/dbraw/zinc/95/86/77/1066958677.db2.gz DDBQVLRTNNPNBU-OLZOCXBDSA-N -1 0 458.773 4.817 20 0 JJADRM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC001458029654 1066958697 /nfs/dbraw/zinc/95/86/97/1066958697.db2.gz SRLOMKHWEJSLNV-NEDOFYQNSA-N -1 0 483.815 4.678 20 0 JJADRM CC(C)CC1(CNC(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2ccccc2Cl)c3=O)CC1 ZINC001545720737 1066975229 /nfs/dbraw/zinc/97/52/29/1066975229.db2.gz CRRSJLYIPPGTLL-UHFFFAOYSA-N -1 0 456.011 4.943 20 0 JJADRM CS(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)Nc1cc(F)c(N2CCCCC2)c(F)c1 ZINC001458332822 1067033029 /nfs/dbraw/zinc/03/30/29/1067033029.db2.gz GHMLPDVBGXGHGG-UHFFFAOYSA-N -1 0 459.518 4.732 20 0 JJADRM CCCCCOc1cc(C)ccc1CNC(=O)c1cccc(I)c1[O-] ZINC001545775125 1067068406 /nfs/dbraw/zinc/06/84/06/1067068406.db2.gz MKUWULIPVJIHGF-UHFFFAOYSA-N -1 0 453.320 4.804 20 0 JJADRM CC[C@@H](c1ccccc1OC)N(C)C(=O)CCCCCn1c(=O)c2ccccc2[n-]c1=S ZINC001450601184 1067093690 /nfs/dbraw/zinc/09/36/90/1067093690.db2.gz BKUANPMHNICCED-NRFANRHFSA-N -1 0 453.608 4.864 20 0 JJADRM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(O)c(F)cc2F)ccc1Cl ZINC001450892915 1067133882 /nfs/dbraw/zinc/13/38/82/1067133882.db2.gz CRQKTKKQKKCHFS-UHFFFAOYSA-N -1 0 452.866 4.685 20 0 JJADRM CC(C)(C)c1ccncc1CNC(=O)c1nn(-c2ccc(Cl)cc2C(F)(F)F)cc1[O-] ZINC001451410809 1067167456 /nfs/dbraw/zinc/16/74/56/1067167456.db2.gz LUXHPJFAWOQDGX-UHFFFAOYSA-N -1 0 452.864 4.873 20 0 JJADRM Cc1ccc(Oc2ccccc2CCNC(=O)CCn2c(=O)c3ccccc3[n-]c2=S)cc1 ZINC001451432436 1067171341 /nfs/dbraw/zinc/17/13/41/1067171341.db2.gz PMISTZUNONGMRK-UHFFFAOYSA-N -1 0 459.571 4.535 20 0 JJADRM CC1(C)CC[C@@H](CNC(=O)c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c2ccccc21 ZINC001545833429 1067183599 /nfs/dbraw/zinc/18/35/99/1067183599.db2.gz XYFKUFSKTKWPJS-KRWDZBQOSA-N -1 0 455.605 4.529 20 0 JJADRM CC1(c2ccccc2)CCN(C(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)CC1 ZINC001545839960 1067193238 /nfs/dbraw/zinc/19/32/38/1067193238.db2.gz QRAAKWKUXPQRBT-UHFFFAOYSA-N -1 0 452.551 4.820 20 0 JJADRM CCc1c([O-])nc(SCC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)n(-c2ccccc2C)c1=O ZINC001458944591 1067204276 /nfs/dbraw/zinc/20/42/76/1067204276.db2.gz HRDWFQFNFLRVIT-HUUCEWRRSA-N -1 0 454.514 4.839 20 0 JJADRM O=C(c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1)N1CCC[C@@H](c2cccnc2)C1 ZINC001452387535 1067221442 /nfs/dbraw/zinc/22/14/42/1067221442.db2.gz PUMOIYCFAORDGJ-GOSISDBHSA-N -1 0 455.967 4.556 20 0 JJADRM Cc1cc(C)c(CCNC(=O)c2ccccc2[N-]S(=O)(=O)c2cc(F)ccc2F)c(C)c1 ZINC001546039008 1067225790 /nfs/dbraw/zinc/22/57/90/1067225790.db2.gz ITWIANRHKFOJAG-UHFFFAOYSA-N -1 0 458.530 4.663 20 0 JJADRM CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2C)c1)[C@@H]1CCCCO1 ZINC001452630023 1067238774 /nfs/dbraw/zinc/23/87/74/1067238774.db2.gz GFNDJWLCZXWXGG-QUCCMNQESA-N -1 0 450.988 4.527 20 0 JJADRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)N2C[C@H](C)OC3(CCCCC3)C2)c1 ZINC001452658151 1067241833 /nfs/dbraw/zinc/24/18/33/1067241833.db2.gz BJZPEJRIYKDAPI-FQEVSTJZSA-N -1 0 456.608 4.668 20 0 JJADRM CC(C)(C)OC(=O)[C@H]1C[C@H](NC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])c2ccccc21 ZINC001452746641 1067248055 /nfs/dbraw/zinc/24/80/55/1067248055.db2.gz RGJMZSHLNVXLNT-OALUTQOASA-N -1 0 453.926 4.531 20 0 JJADRM O=C(c1nn(-c2ccc(Cl)cc2)cc1[O-])N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC001452857338 1067257548 /nfs/dbraw/zinc/25/75/48/1067257548.db2.gz SKNWMTOGTBEPQG-UHFFFAOYSA-N -1 0 451.741 4.501 20 0 JJADRM CCNc1ccc(Cl)cc1C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001453133935 1067282628 /nfs/dbraw/zinc/28/26/28/1067282628.db2.gz URHPMQWEPQRKGP-LPHOPBHVSA-N -1 0 471.882 4.588 20 0 JJADRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)N3CCC(Cc4nc(C(C)(C)C)cs4)CC3)n2)c1 ZINC001453277933 1067293092 /nfs/dbraw/zinc/29/30/92/1067293092.db2.gz FWUXKCJNEYNJMN-UHFFFAOYSA-N -1 0 456.587 4.874 20 0 JJADRM CC(C)(C)OC(=O)N1CCO[C@H](c2ccc(NC(=O)c3cc(F)c([O-])c(Cl)c3)cc2)C1 ZINC001453402536 1067304358 /nfs/dbraw/zinc/30/43/58/1067304358.db2.gz OZHNSKRWQWQXJL-SFHVURJKSA-N -1 0 450.894 4.745 20 0 JJADRM O=C([N-][C@@H]1CN(C(=O)c2cnc(-c3ccccc3F)s2)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001453679836 1067321809 /nfs/dbraw/zinc/32/18/09/1067321809.db2.gz HDIOYYYANJZUOF-CRAIPNDOSA-N -1 0 477.483 4.626 20 0 JJADRM Cc1cccc2sc(C(=O)N3CCC([C@@H]4OCC[C@H]4[N-]C(=O)C(F)(F)F)CC3)c(Cl)c21 ZINC001460041520 1067537175 /nfs/dbraw/zinc/53/71/75/1067537175.db2.gz SMIXEXKEGICPND-DYVFJYSZSA-N -1 0 474.932 4.551 20 0 JJADRM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)C2(c3ccccc3Br)CC2)c1 ZINC001460042825 1067537490 /nfs/dbraw/zinc/53/74/90/1067537490.db2.gz XSBSHBTURVATSL-UHFFFAOYSA-N -1 0 455.274 4.606 20 0 JJADRM COC(=O)c1sc2nc(C)ccc2c1[N-]C(=O)c1cc(-c2cc(OC)ccc2Cl)no1 ZINC001460268044 1067593983 /nfs/dbraw/zinc/59/39/83/1067593983.db2.gz RQYXIVKCERJHKK-UHFFFAOYSA-N -1 0 457.895 4.961 20 0 JJADRM O=C([N-][C@H]1CN(C(=O)c2cc3c(s2)CCCCC3)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC001461417663 1067851259 /nfs/dbraw/zinc/85/12/59/1067851259.db2.gz IULMVLQYDQKVFT-ROUUACIJSA-N -1 0 468.516 4.833 20 0 JJADRM CC(C)(C)OC(=O)NCc1cccc(CNc2cc(F)cc(C[N-]C(=O)C(F)(F)F)c2)c1 ZINC001461679770 1067916843 /nfs/dbraw/zinc/91/68/43/1067916843.db2.gz ZQDIYDZSWTXTSQ-UHFFFAOYSA-N -1 0 455.452 4.641 20 0 JJADRM O=C([N-]Cc1cc(F)cc(NC(=O)c2ccc(Oc3cccc(F)c3)cn2)c1)C(F)(F)F ZINC001462005688 1067978606 /nfs/dbraw/zinc/97/86/06/1067978606.db2.gz DODHBGICBHNZRU-UHFFFAOYSA-N -1 0 451.351 4.583 20 0 JJADRM COc1cc(C(=O)Nc2cc(F)cc(C[N-]C(=O)C(F)(F)F)c2)ccc1OCCC(C)C ZINC001462008197 1067979127 /nfs/dbraw/zinc/97/91/27/1067979127.db2.gz MTNKCIGHSMJWOC-UHFFFAOYSA-N -1 0 456.436 4.690 20 0 JJADRM COC(=O)[C@H](NCc1cc(Br)c([O-])c(Br)c1)c1cc(C)cc(C)c1 ZINC001462119757 1068008222 /nfs/dbraw/zinc/00/82/22/1068008222.db2.gz USQJUHVGMUNJHL-MRXNPFEDSA-N -1 0 457.162 4.538 20 0 JJADRM C[C@@H]1CN(Cc2cc(Br)c([O-])c(Br)c2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001462622916 1068114952 /nfs/dbraw/zinc/11/49/52/1068114952.db2.gz HPLZQDTVVKFBJZ-DGCLKSJQSA-N -1 0 478.225 4.510 20 0 JJADRM O=S(=O)([N-][C@@H](c1ccccc1)c1ccc(Br)cc1)c1c(F)cc(F)cc1F ZINC001462931005 1068218715 /nfs/dbraw/zinc/21/87/15/1068218715.db2.gz VAUSDAJTJQZUMZ-SFHVURJKSA-N -1 0 456.283 4.934 20 0 JJADRM O=S(=O)([N-][C@H](c1ccccc1)c1ccc(Br)cc1)c1c(F)cc(F)cc1F ZINC001462931004 1068218839 /nfs/dbraw/zinc/21/88/39/1068218839.db2.gz VAUSDAJTJQZUMZ-GOSISDBHSA-N -1 0 456.283 4.934 20 0 JJADRM O=S(=O)([N-][C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1c(F)cc(Br)cc1F ZINC001462972799 1068234114 /nfs/dbraw/zinc/23/41/14/1068234114.db2.gz TYDCVHASUWRRTM-QMTHXVAHSA-N -1 0 456.230 4.581 20 0 JJADRM C[S@](=O)(=NS(=O)(=O)[N-]Cc1ccc(-c2ccc(Cl)cc2)cc1F)c1ccccc1 ZINC001463290980 1068346389 /nfs/dbraw/zinc/34/63/89/1068346389.db2.gz CHSUPEBYRZCQDS-MUUNZHRXSA-N -1 0 452.960 4.637 20 0 JJADRM Cc1ccc(C[N-]S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c(OCCCC(C)C)c1 ZINC001463307803 1068351087 /nfs/dbraw/zinc/35/10/87/1068351087.db2.gz LKMJYPHWOJKLRG-UHFFFAOYSA-N -1 0 451.457 4.984 20 0 JJADRM O=C(N[C@H]1CC[C@@H](CS(=O)(=O)[N-][C@@H](C2CCCCC2)C(F)(F)F)C1)OCc1ccccc1 ZINC001463492579 1068418551 /nfs/dbraw/zinc/41/85/51/1068418551.db2.gz RUEUYAJIFPZKRM-HOJAQTOUSA-N -1 0 476.561 4.512 20 0 JJADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC001463609394 1068464664 /nfs/dbraw/zinc/46/46/64/1068464664.db2.gz GRZUMIXYGVIFQQ-UHFFFAOYSA-N -1 0 450.438 4.947 20 0 JJADRM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CC(F)(F)c1ccc(Cl)cc1 ZINC001463667698 1068489037 /nfs/dbraw/zinc/48/90/37/1068489037.db2.gz MMWRDGRLTLVJDY-UHFFFAOYSA-N -1 0 458.697 4.504 20 0 JJADRM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C3=CCC(C)(C)CC3)ccc2OC)cc1 ZINC001463700682 1068499196 /nfs/dbraw/zinc/49/91/96/1068499196.db2.gz RNFCDKIHJGNKPX-UHFFFAOYSA-N -1 0 458.580 4.970 20 0 JJADRM CCOc1cccc2cc([C@@H](C)NC(=O)c3cccc([N-]S(=O)(=O)C(F)(F)F)c3)oc21 ZINC001463737817 1068507956 /nfs/dbraw/zinc/50/79/56/1068507956.db2.gz OEUFVRZKEWODOS-GFCCVEGCSA-N -1 0 456.442 4.584 20 0 JJADRM O=S(=O)([N-][C@H](c1ccccc1)C(F)F)c1csc(-c2cccc(Br)c2)n1 ZINC001463746061 1068510805 /nfs/dbraw/zinc/51/08/05/1068510805.db2.gz DPWRCYFSVNDVIO-OAHLLOKOSA-N -1 0 459.337 4.857 20 0 JJADRM O=C(c1cccc([N-]S(=O)(=O)C(F)(F)F)c1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC001463815342 1068534741 /nfs/dbraw/zinc/53/47/41/1068534741.db2.gz YOIRSESIGSQRLJ-HNNXBMFYSA-N -1 0 455.483 4.535 20 0 JJADRM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C(C)(C)C(F)(F)F)ccc2Cl)cc1 ZINC001463844989 1068545794 /nfs/dbraw/zinc/54/57/94/1068545794.db2.gz YHLLIGCFPDMFPW-UHFFFAOYSA-N -1 0 450.866 4.676 20 0 JJADRM COc1ccc([C@H]2CCCCCN2C(=O)c2cccc(I)c2[O-])cc1 ZINC001463849761 1068547584 /nfs/dbraw/zinc/54/75/84/1068547584.db2.gz VBGNMXHOBGQCFE-GOSISDBHSA-N -1 0 451.304 4.763 20 0 JJADRM O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC001463908509 1068562215 /nfs/dbraw/zinc/56/22/15/1068562215.db2.gz BAHBPIXDQMVTAH-UHFFFAOYSA-N -1 0 452.383 4.727 20 0 JJADRM CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1cccc(Br)c1[O-] ZINC001463914243 1068564287 /nfs/dbraw/zinc/56/42/87/1068564287.db2.gz KRNJZWHHHAFDJP-UHFFFAOYSA-N -1 0 450.720 4.509 20 0 JJADRM COc1c(Br)cc(Cl)cc1NC(=O)c1nn(-c2cc(C)ccc2F)cc1[O-] ZINC001463935826 1068570060 /nfs/dbraw/zinc/57/00/60/1068570060.db2.gz LYJNXXNUGVNNNM-UHFFFAOYSA-N -1 0 454.683 4.702 20 0 JJADRM CC[C@@H](C)c1ccc([C@H](NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2[O-])C(C)C)cc1 ZINC001463963152 1068575967 /nfs/dbraw/zinc/57/59/67/1068575967.db2.gz RESJUJKIZMSIHB-HOYKHHGWSA-N -1 0 458.624 4.817 20 0 JJADRM CC1([N-]S(=O)(=O)c2scc(Br)c2Br)CCC(F)(F)CC1 ZINC001464081620 1068608272 /nfs/dbraw/zinc/60/82/72/1068608272.db2.gz FDIMFQCJMVUQQD-UHFFFAOYSA-N -1 0 453.168 4.519 20 0 JJADRM C[C@@H]1CCC[C@@H](OCC(=O)Nc2cc(Cl)ccc2[N-]S(=O)(=O)c2ccccc2F)C1 ZINC001464086211 1068609731 /nfs/dbraw/zinc/60/97/31/1068609731.db2.gz CPQSKEVVBFFICT-GDBMZVCRSA-N -1 0 454.951 4.814 20 0 JJADRM O=S(=O)([N-]CC(F)(F)c1ccc(Br)cc1)c1cc(Cl)sc1Cl ZINC001464123504 1068623141 /nfs/dbraw/zinc/62/31/41/1068623141.db2.gz UDYWOZJWSBFYRJ-UHFFFAOYSA-N -1 0 451.141 4.888 20 0 JJADRM CC(C)(C[N-]S(=O)(=O)c1scc(Br)c1Br)CC(F)(F)F ZINC001464142097 1068632477 /nfs/dbraw/zinc/63/24/77/1068632477.db2.gz OBAKWCBIRHFRIS-UHFFFAOYSA-N -1 0 459.147 4.530 20 0 JJADRM O=C(Nc1ccc(F)c(S(=O)(=O)[N-]c2ccc(Br)cc2)c1)[C@@H]1C[C@H]1C1CCC1 ZINC001464181371 1068645805 /nfs/dbraw/zinc/64/58/05/1068645805.db2.gz KHLVQLQRCFSTMX-DLBZAZTESA-N -1 0 467.360 4.764 20 0 JJADRM O=C(Nc1ccc(F)c([N-]S(=O)(=O)c2cccs2)c1)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC001464227627 1068665559 /nfs/dbraw/zinc/66/55/59/1068665559.db2.gz PJNZPLISTFXGLQ-STQMWFEESA-N -1 0 452.479 4.708 20 0 JJADRM C[C@@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cccc(C(F)(F)F)c2[O-])c1 ZINC001464299478 1068696381 /nfs/dbraw/zinc/69/63/81/1068696381.db2.gz ONMBYAKGJPFAPF-CYBMUJFWSA-N -1 0 453.436 4.615 20 0 JJADRM CCc1nc2cc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3cc(F)ccc3F)ccc2o1 ZINC001464311865 1068700829 /nfs/dbraw/zinc/70/08/29/1068700829.db2.gz JMRRCTNTMAUIBC-UHFFFAOYSA-N -1 0 457.458 4.722 20 0 JJADRM O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1)c1ccc(Cl)c([O-])c1 ZINC001464349235 1068715110 /nfs/dbraw/zinc/71/51/10/1068715110.db2.gz ITRZTYRTSGAEME-UHFFFAOYSA-N -1 0 455.294 4.891 20 0 JJADRM CCCN(C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-])[C@H](C)c1cc2ccccc2o1 ZINC001464450255 1068750640 /nfs/dbraw/zinc/75/06/40/1068750640.db2.gz KQPCSQNLLFNDRW-QGZVFWFLSA-N -1 0 456.564 4.536 20 0 JJADRM C[C@H]1CCC[C@H](OCc2cccc(NC(=O)CCn3c(=O)c4ccccc4[n-]c3=S)c2)C1 ZINC001464571675 1068786178 /nfs/dbraw/zinc/78/61/78/1068786178.db2.gz BQECBZNVHPQSCH-PXNSSMCTSA-N -1 0 451.592 4.809 20 0 JJADRM COc1cc(F)c(S(=O)(=O)[N-][C@H](c2ccc(Cl)cc2Cl)C(F)(F)F)c(F)c1 ZINC001464576230 1068788756 /nfs/dbraw/zinc/78/87/56/1068788756.db2.gz BWMOIPSQJNOBAD-CQSZACIVSA-N -1 0 450.212 4.862 20 0 JJADRM COc1c(F)cc(S(=O)(=O)[N-][C@@H](c2ccc(Cl)cc2Cl)C(F)(F)F)cc1F ZINC001464585416 1068792021 /nfs/dbraw/zinc/79/20/21/1068792021.db2.gz SLARWCKRSDJPGH-AWEZNQCLSA-N -1 0 450.212 4.862 20 0 JJADRM C[C@H](CNC(=O)c1ccccc1[N-]S(=O)(=O)C(F)(F)F)c1c(Cl)cccc1Cl ZINC001464653890 1068812689 /nfs/dbraw/zinc/81/26/89/1068812689.db2.gz IRJIRCKGPMJPSS-SNVBAGLBSA-N -1 0 455.285 4.788 20 0 JJADRM C[C@@H](NC(=O)c1cc(CCc2ccccc2)ccc1O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001464675356 1068821132 /nfs/dbraw/zinc/82/11/32/1068821132.db2.gz GMQWEPMCLSPRMU-KNQAVFIVSA-N -1 0 452.595 4.943 20 0 JJADRM Cc1ccc(-c2ccsc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1 ZINC000014634181 525765346 /nfs/dbraw/zinc/76/53/46/525765346.db2.gz KEBBGXWSKYCFBO-UHFFFAOYSA-N -1 0 450.545 4.567 20 0 JJADRM COc1cccc2cc(C(=O)N[C@H](C)c3ccccc3[N-]S(=O)(=O)c3cccs3)oc21 ZINC001545852960 1064262796 /nfs/dbraw/zinc/26/27/96/1064262796.db2.gz CKQJQOBVTALKOI-CQSZACIVSA-N -1 0 456.545 4.795 20 0 JJADRM O=C(Nc1nc(-c2cccc(Oc3ccccc3)c2)ns1)c1ncc(Br)cn1 ZINC001435196934 1064585110 /nfs/dbraw/zinc/58/51/10/1064585110.db2.gz AMCRFEOSQALJOC-UHFFFAOYSA-N -1 0 454.309 4.802 20 0 JJADRM COc1ccc(Sc2nsc([N-]C(=O)c3c(F)ccc(Br)c3F)n2)cc1 ZINC001435431123 1064752715 /nfs/dbraw/zinc/75/27/15/1064752715.db2.gz DVPKYNUTWICQIR-UHFFFAOYSA-N -1 0 458.309 4.991 20 0 JJADRM O=C([N-][C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)C(F)(F)c1cccc(Cl)c1Cl ZINC001435587605 1064851996 /nfs/dbraw/zinc/85/19/96/1064851996.db2.gz MFYYNCVPRJTVHJ-VIFPVBQESA-N -1 0 451.659 4.799 20 0 JJADRM C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CCN1C(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC001435626107 1064887142 /nfs/dbraw/zinc/88/71/42/1064887142.db2.gz FOIIKVIHDUXBGO-ZHRRBRCNSA-N -1 0 456.464 4.677 20 0 JJADRM C[C@@H]1[C@H](c2ccccc2)c2ccccc2CCN1C(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC001435626106 1064887168 /nfs/dbraw/zinc/88/71/68/1064887168.db2.gz FOIIKVIHDUXBGO-OPAMFIHVSA-N -1 0 456.464 4.677 20 0 JJADRM C[C@H]1[C@H](c2ccccc2)c2ccccc2CCN1C(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC001435626105 1064887180 /nfs/dbraw/zinc/88/71/80/1064887180.db2.gz FOIIKVIHDUXBGO-KSFYIVLOSA-N -1 0 456.464 4.677 20 0 JJADRM C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O ZINC001435660785 1064914838 /nfs/dbraw/zinc/91/48/38/1064914838.db2.gz SNFYEBSXJCQCGK-CQSZACIVSA-N -1 0 450.482 4.591 20 0 JJADRM CC(C)c1c(NC(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)cnn1-c1ccc(Cl)cc1 ZINC001436118378 1065191615 /nfs/dbraw/zinc/19/16/15/1065191615.db2.gz GJRUTOJYGBBGGW-UHFFFAOYSA-N -1 0 454.836 4.673 20 0 JJADRM CN(C(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001436599481 1065392864 /nfs/dbraw/zinc/39/28/64/1065392864.db2.gz HJPMFQZXXRKVNY-XZOQPEGZSA-N -1 0 452.576 4.529 20 0 JJADRM CCCc1ccc(CCCC(=O)N2C[C@H]([N-]C(=O)C(F)(F)F)CC[C@H]2C(F)(F)F)cc1 ZINC001437136980 1065511972 /nfs/dbraw/zinc/51/19/72/1065511972.db2.gz ZQRAYFWVTLEYQQ-SJORKVTESA-N -1 0 452.439 4.562 20 0 JJADRM CCc1ccc(-c2nc(C(=O)N3C[C@H]([N-]C(=O)C(F)(F)F)CC[C@H]3C(F)(F)F)cs2)cc1 ZINC001437136106 1065512145 /nfs/dbraw/zinc/51/21/45/1065512145.db2.gz WFTCTKQHLOWPKD-HIFRSBDPSA-N -1 0 479.446 4.587 20 0 JJADRM O=C(Nc1ccc(Br)c(Cl)c1)c1cccc([N-]S(=O)(=O)C(F)(F)F)c1 ZINC001545905196 1065516104 /nfs/dbraw/zinc/51/61/04/1065516104.db2.gz SLBWKWKOARVFJJ-UHFFFAOYSA-N -1 0 457.655 4.616 20 0 JJADRM C[C@@H](CC(=O)N1CC[C@@H](c2cccc(F)c2)[C@@H]([N-]C(=O)C(F)(F)F)C1)c1ccc(F)cc1 ZINC001437477331 1065560063 /nfs/dbraw/zinc/56/00/63/1065560063.db2.gz RWFGGLXCLRKAFJ-GKCIPKSASA-N -1 0 454.439 4.522 20 0 JJADRM CC(C)Cc1cccc([C@H](C)C(=O)N2C[C@@H]([N-]C(=O)C(F)(F)F)CC[C@H]2C(F)(F)F)c1 ZINC001437701785 1065593109 /nfs/dbraw/zinc/59/31/09/1065593109.db2.gz GNCCWNBGYNLWDA-JQFCIGGWSA-N -1 0 452.439 4.589 20 0 JJADRM CC(C)Cc1ccc(CCCC(=O)N2C[C@@H]([N-]C(=O)C(F)(F)F)CC[C@H]2C(F)(F)F)cc1 ZINC001437699868 1065593437 /nfs/dbraw/zinc/59/34/37/1065593437.db2.gz BUPGAPQBWJAHFN-ROUUACIJSA-N -1 0 466.466 4.808 20 0 JJADRM CCCOc1ccc(C(=O)Nc2nc(C(=O)OCC)c(Cl)[n-]2)c(OCc2ccccc2)c1 ZINC001439495938 1065834522 /nfs/dbraw/zinc/83/45/22/1065834522.db2.gz HUUZYXBTQPVXLJ-UHFFFAOYSA-N -1 0 457.914 4.860 20 0 JJADRM O=C([N-]C1(c2ncc(Br)cn2)CCC1)C(F)(F)c1cccc(Cl)c1Cl ZINC001439564792 1065841947 /nfs/dbraw/zinc/84/19/47/1065841947.db2.gz YCNNKPOTXCASMK-UHFFFAOYSA-N -1 0 451.098 4.833 20 0 JJADRM C[C@@H]1CCN(C(=O)[C@@H](Oc2ccc(F)cc2Cl)c2ccccc2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001440201678 1065923698 /nfs/dbraw/zinc/92/36/98/1065923698.db2.gz ZSTHBUNTDWDGKQ-FMEYXAORSA-N -1 0 472.866 4.515 20 0 JJADRM C[C@H](CC(=O)Nc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1)[C@H]1CCCO1 ZINC001440380185 1065934658 /nfs/dbraw/zinc/93/46/58/1065934658.db2.gz PTQXADDSJCULJZ-FZKQIMNGSA-N -1 0 457.379 4.938 20 0 JJADRM Cc1cccc(Oc2ccccc2NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2[O-])c1 ZINC001440434893 1065940945 /nfs/dbraw/zinc/94/09/45/1065940945.db2.gz QWFMBYVEQZXVMR-UHFFFAOYSA-N -1 0 452.532 4.530 20 0 JJADRM 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ZINC001441123037 1066009332 /nfs/dbraw/zinc/00/93/32/1066009332.db2.gz CPXKGKJIGHYKGD-UHFFFAOYSA-N -1 0 456.539 4.606 20 0 JJADRM C[C@H]1CCC[C@H](NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Br)cc2)C1 ZINC001441245619 1066019734 /nfs/dbraw/zinc/01/97/34/1066019734.db2.gz HBOQKRUKSYYHDK-HOCLYGCPSA-N -1 0 451.386 4.558 20 0 JJADRM CC(C)(C)c1ccc(CCNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC001441363361 1066035133 /nfs/dbraw/zinc/03/51/33/1066035133.db2.gz QYSUICCRTUPVIO-UHFFFAOYSA-N -1 0 454.567 4.897 20 0 JJADRM CCN(CC)c1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2cc(C)ccc2C)cn1 ZINC001441485379 1066046007 /nfs/dbraw/zinc/04/60/07/1066046007.db2.gz SBVNUXGTXFJADH-UHFFFAOYSA-N -1 0 452.580 4.598 20 0 JJADRM Cc1cc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2cc(C(C)(C)C)cc(C)c2C)n(C)n1 ZINC001441729517 1066064764 /nfs/dbraw/zinc/06/47/64/1066064764.db2.gz BUSMIEVIAYKBII-UHFFFAOYSA-N -1 0 454.596 4.696 20 0 JJADRM O=C(Nc1ncc(Cc2ccccc2F)s1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC001441729749 1066064826 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IQNDUEASZHUMOZ-UHFFFAOYSA-N -1 0 455.285 4.920 20 0 JJADRM Cc1cc(C)nc(-n2[n-]c(C(=O)Nc3ccc(Sc4ccccc4)c(Cl)c3)cc2=O)n1 ZINC001442721042 1066155673 /nfs/dbraw/zinc/15/56/73/1066155673.db2.gz QDAKZSNVFAGPIN-UHFFFAOYSA-N -1 0 451.939 4.629 20 0 JJADRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCCC[C@H]2C)c1 ZINC001442746453 1066156409 /nfs/dbraw/zinc/15/64/09/1066156409.db2.gz JSZRHNYWQWWMDI-WBVHZDCISA-N -1 0 450.988 4.706 20 0 JJADRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)NCc3cccc(NC(=O)Nc4ccccc4)c3)n2)c1 ZINC001442865365 1066233761 /nfs/dbraw/zinc/23/37/61/1066233761.db2.gz MPRDONREWDKTMS-UHFFFAOYSA-N -1 0 459.481 4.599 20 0 JJADRM O=C(c1nn(-c2ccccc2C(F)(F)F)cc1[O-])N1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC001454026964 1066237573 /nfs/dbraw/zinc/23/75/73/1066237573.db2.gz YDHPHOJYHRWMCC-CQSZACIVSA-N -1 0 451.395 4.895 20 0 JJADRM Cc1ccccc1C1(CNC(=O)c2ccc(Cl)cc2[N-]S(=O)(=O)c2ccccc2)CC1 ZINC001442932857 1066243093 /nfs/dbraw/zinc/24/30/93/1066243093.db2.gz NVPQMJJDKVBDCV-UHFFFAOYSA-N -1 0 454.979 4.911 20 0 JJADRM CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])c2ccccc21 ZINC001454196713 1066253299 /nfs/dbraw/zinc/25/32/99/1066253299.db2.gz TXADJJZXWDDXOS-GOSISDBHSA-N -1 0 453.926 4.707 20 0 JJADRM CCC[C@H](Cc1ccccc1)N(CCC)C(=O)c1cnc(I)c([O-])c1 ZINC001443067928 1066262683 /nfs/dbraw/zinc/26/26/83/1066262683.db2.gz DLCFXEMWBTWQMF-QGZVFWFLSA-N -1 0 452.336 4.655 20 0 JJADRM C[C@]1(CNC(=O)c2ccccc2[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)C[C@H]2C[C@H]2C1 ZINC001454550532 1066300142 /nfs/dbraw/zinc/30/01/42/1066300142.db2.gz AFJDBUDVYDSEDA-PBFBIOBFSA-N -1 0 452.498 4.672 20 0 JJADRM C[C@]1(CNC(=O)c2cccc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)c2)C[C@H]2C[C@H]2C1 ZINC001454552530 1066300622 /nfs/dbraw/zinc/30/06/22/1066300622.db2.gz GJILSQRJELULGT-PBFBIOBFSA-N -1 0 453.391 4.960 20 0 JJADRM O=C(Nc1nnc(-c2c(Cl)cccc2Cl)s1)c1cnc2cc(F)c(F)cc2c1O ZINC001454563714 1066301047 /nfs/dbraw/zinc/30/10/47/1066301047.db2.gz ZDQRINIRAKRTDV-UHFFFAOYSA-N -1 0 453.257 4.884 20 0 JJADRM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)cc1 ZINC001454701572 1066322096 /nfs/dbraw/zinc/32/20/96/1066322096.db2.gz YKCLVIMDUYKYHI-FYYLOGMGSA-N -1 0 450.560 4.562 20 0 JJADRM O=C(CSc1n[n-]c(=S)s1)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1 ZINC001443534384 1066325274 /nfs/dbraw/zinc/32/52/74/1066325274.db2.gz AZHJYGVISHJRSG-QGZVFWFLSA-N -1 0 456.618 4.535 20 0 JJADRM COc1ccc2oc([C@H](C)NC(=O)c3cccc(I)c3[O-])c(C)c2c1 ZINC001443574845 1066329827 /nfs/dbraw/zinc/32/98/27/1066329827.db2.gz AUNOAWDKECDUQI-NSHDSACASA-N -1 0 451.260 4.551 20 0 JJADRM O=C(CCCCCn1c(=O)c2ccccc2[n-]c1=S)N1CCC(c2ccc(F)cc2)CC1 ZINC001454830962 1066336081 /nfs/dbraw/zinc/33/60/81/1066336081.db2.gz KJGYCJBQJDSAFJ-UHFFFAOYSA-N -1 0 453.583 4.791 20 0 JJADRM Cc1ccc(-n2[n-]c(C(=O)N(Cc3ccccc3OC(F)(F)F)C3CCCC3)cc2=O)cc1 ZINC001443684932 1066349877 /nfs/dbraw/zinc/34/98/77/1066349877.db2.gz CQCIHQAUZBWEFA-UHFFFAOYSA-N -1 0 459.468 4.958 20 0 JJADRM O=C(N[C@H]1c2ccccc2CC[C@H]1F)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC001455165167 1066367328 /nfs/dbraw/zinc/36/73/28/1066367328.db2.gz FWLLRLBDIIWYIS-IRLDBZIGSA-N -1 0 458.942 4.896 20 0 JJADRM O=C(c1nn(-c2ccc(Cl)cc2C(F)(F)F)cc1[O-])N1CCc2cc(F)c(F)cc2C1 ZINC001455225180 1066372892 /nfs/dbraw/zinc/37/28/92/1066372892.db2.gz MDSUAEMYNQCXKS-UHFFFAOYSA-N -1 0 457.786 4.727 20 0 JJADRM CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ncsc3C3CC3)ccc2OC)cc1 ZINC001455350033 1066384477 /nfs/dbraw/zinc/38/44/77/1066384477.db2.gz RQYUEXYZPVWXCC-UHFFFAOYSA-N -1 0 457.577 4.645 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N[C@H](C)c2ccc(F)cc2C)c1 ZINC001455536566 1066406477 /nfs/dbraw/zinc/40/64/77/1066406477.db2.gz ITDLNUDIQBGHLW-QGZVFWFLSA-N -1 0 456.539 4.743 20 0 JJADRM C[C@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1nc2ccccc2s1 ZINC001444196818 1066428424 /nfs/dbraw/zinc/42/84/24/1066428424.db2.gz CGUKAJQNWKMCJG-AWEZNQCLSA-N -1 0 455.536 4.727 20 0 JJADRM CC(C)c1cnc(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2[O-])s1 ZINC001444261657 1066437758 /nfs/dbraw/zinc/43/77/58/1066437758.db2.gz BEBVLXIYCNNRRT-UHFFFAOYSA-N -1 0 451.957 4.679 20 0 JJADRM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC001455821813 1066438336 /nfs/dbraw/zinc/43/83/36/1066438336.db2.gz PZMNBBFRJONIKF-TUFGIGEDSA-N -1 0 452.498 4.528 20 0 JJADRM Cc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)C/C=C/c3ccc(C(C)C)cc3)cc2)s1 ZINC001455927385 1066452559 /nfs/dbraw/zinc/45/25/59/1066452559.db2.gz BDUIBOCTRPFHCD-SNAWJCMRSA-N -1 0 456.593 4.813 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N(C)[C@@H](C)Cc2ccc(C)cc2)c1 ZINC001444362540 1066455249 /nfs/dbraw/zinc/45/52/49/1066455249.db2.gz MVMQSGSBTRZHPX-IBGZPJMESA-N -1 0 452.576 4.508 20 0 JJADRM O=C(Nc1ccc(O[C@H]2CCOC2)cc1)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC001444412284 1066460091 /nfs/dbraw/zinc/46/00/91/1066460091.db2.gz RLXKPURJHYPIOU-INIZCTEOSA-N -1 0 458.923 4.779 20 0 JJADRM CCCN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-])[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC001444516341 1066472672 /nfs/dbraw/zinc/47/26/72/1066472672.db2.gz SKMJFORERDBMJB-CYBMUJFWSA-N -1 0 459.395 4.563 20 0 JJADRM O=C([N-]c1nnc(Cc2cccc(F)c2)s1)c1cc(-c2cccc(Br)c2)no1 ZINC001456147885 1066522043 /nfs/dbraw/zinc/52/20/43/1066522043.db2.gz OPCCZZUXKPDIBW-UHFFFAOYSA-N -1 0 459.300 4.938 20 0 JJADRM Cc1cc(C(=O)N2CC[C@H](CSc3ccccc3)C2)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC001445035056 1066531009 /nfs/dbraw/zinc/53/10/09/1066531009.db2.gz RLLXPQGOTBZLCA-HNNXBMFYSA-N -1 0 458.527 4.511 20 0 JJADRM Cc1nc(-c2cccc(C(=O)Nc3cccc(S(=O)(=O)[N-]c4nccs4)c3)c2)cs1 ZINC001445082751 1066537555 /nfs/dbraw/zinc/53/75/55/1066537555.db2.gz RBTUTGOGRIJWLX-UHFFFAOYSA-N -1 0 456.574 4.628 20 0 JJADRM C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC001445371431 1066563951 /nfs/dbraw/zinc/56/39/51/1066563951.db2.gz ADNWTCHVQGTBCL-WIYYLYMNSA-N -1 0 454.617 4.571 20 0 JJADRM C[C@@H](NC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccco1)c2=O)c1c(F)cccc1Cl ZINC001445374545 1066564379 /nfs/dbraw/zinc/56/43/79/1066564379.db2.gz GXXOOFJIZRNGTQ-GFCCVEGCSA-N -1 0 457.914 4.610 20 0 JJADRM CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)c2cc(Br)cc(F)c2[O-])cc1 ZINC001445707746 1066607635 /nfs/dbraw/zinc/60/76/35/1066607635.db2.gz XAMYHADVLPVEGQ-LBPRGKRZSA-N -1 0 452.324 4.659 20 0 JJADRM O=C(NCc1ccccc1-c1ccc(Cl)cc1Cl)c1nc[n-]c(=O)c1Br ZINC001446111137 1066661995 /nfs/dbraw/zinc/66/19/95/1066661995.db2.gz OPBBAGFAZSWSCA-UHFFFAOYSA-N -1 0 453.123 4.849 20 0 JJADRM CC(C)CSCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC001446245233 1066678726 /nfs/dbraw/zinc/67/87/26/1066678726.db2.gz RTQLMWRKTAOOSJ-UHFFFAOYSA-N -1 0 459.008 4.789 20 0 JJADRM C[C@H](CC(=O)N[C@@H](C)c1ccccc1[N-]S(=O)(=O)c1cccs1)C(=O)c1ccccc1 ZINC001446271477 1066682469 /nfs/dbraw/zinc/68/24/69/1066682469.db2.gz HNEPPYQSBKTCOW-SJORKVTESA-N -1 0 456.589 4.635 20 0 JJADRM C[C@@H](NC(=O)[C@H]1CCCc2c(O)cccc21)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC001446278559 1066684539 /nfs/dbraw/zinc/68/45/39/1066684539.db2.gz TYRIBHRZMNORFO-BEFAXECRSA-N -1 0 456.589 4.552 20 0 JJADRM C[C@@H](NC(=O)c1cc(F)c2ncccc2c1)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC001446281654 1066685172 /nfs/dbraw/zinc/68/51/72/1066685172.db2.gz XWJXOIXWSZBDGG-CQSZACIVSA-N -1 0 455.536 4.727 20 0 JJADRM C[C@@H]1c2ccc(F)cc2C[C@H](C)N1C(=O)CCCCCn1c(=O)c2ccccc2[n-]c1=S ZINC001446284312 1066685964 /nfs/dbraw/zinc/68/59/64/1066685964.db2.gz VZCIRJVEDXGQGM-DLBZAZTESA-N -1 0 453.583 4.919 20 0 JJADRM Cc1c(NC(=O)c2nn(-c3ccccc3C(F)(F)F)cc2[O-])cnn1-c1cc(C)ccc1C ZINC001446437090 1066705808 /nfs/dbraw/zinc/70/58/08/1066705808.db2.gz ZCBADQNCBQGVRN-UHFFFAOYSA-N -1 0 455.440 4.960 20 0 JJADRM CC(=O)c1cccc(OCc2cc(C(=O)[N-]c3c(F)cc(Br)cc3F)no2)c1 ZINC001456940795 1066726960 /nfs/dbraw/zinc/72/69/60/1066726960.db2.gz PEYDBWGXUGYVBT-UHFFFAOYSA-N -1 0 451.223 4.749 20 0 JJADRM CCc1cnccc1CNC(=O)c1ccccc1[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC001446954314 1066758789 /nfs/dbraw/zinc/75/87/89/1066758789.db2.gz DJLINIUMYCFMBN-UHFFFAOYSA-N -1 0 451.592 4.608 20 0 JJADRM CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3nc(C(C)(C)C)co3)ccc2OC)cc1 ZINC001457097002 1066760931 /nfs/dbraw/zinc/76/09/31/1066760931.db2.gz ATOGBBGSNFSDIZ-UHFFFAOYSA-N -1 0 457.552 4.596 20 0 JJADRM Cc1ccc(-c2nc(SCC(=O)Nc3cc(Cl)cc(Br)c3[O-])n[nH]2)cc1 ZINC001447097488 1066772484 /nfs/dbraw/zinc/77/24/84/1066772484.db2.gz XOBXDEWSRVUXMT-UHFFFAOYSA-N -1 0 453.749 4.632 20 0 JJADRM COc1ccc(NC(=O)CCCCCn2c(=O)c3ccccc3[n-]c2=S)cc1OC(C)C ZINC001447379841 1066801430 /nfs/dbraw/zinc/80/14/30/1066801430.db2.gz WNKZVQLDMQNPLH-UHFFFAOYSA-N -1 0 455.580 4.680 20 0 JJADRM COc1cccc(S([O-])=CC(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c1 ZINC001447754499 1066853838 /nfs/dbraw/zinc/85/38/38/1066853838.db2.gz WQYPHOHHXUIDNB-DFYVNMARSA-N -1 0 453.404 4.632 20 0 JJADRM Cc1c(NC(=O)c2ccccc2[N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)n[nH]c1C1CC1 ZINC001457590728 1066873487 /nfs/dbraw/zinc/87/34/87/1066873487.db2.gz MLPDTQYPSGPKID-UHFFFAOYSA-N -1 0 452.580 4.882 20 0 JJADRM Cc1cc(Br)cc(NC(=O)C[C@H](NC(=O)c2ccc(O)cc2)c2ccccc2)c1 ZINC001447935340 1066878106 /nfs/dbraw/zinc/87/81/06/1066878106.db2.gz AKQWZDBSXOQALX-NRFANRHFSA-N -1 0 453.336 4.963 20 0 JJADRM O=C(c1ccc(F)cc1)N1CCCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])CC1 ZINC001457613446 1066878522 /nfs/dbraw/zinc/87/85/22/1066878522.db2.gz QGGVKPZEWAJNRJ-UHFFFAOYSA-N -1 0 452.913 4.840 20 0 JJADRM CC[C@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC001447966024 1066884400 /nfs/dbraw/zinc/88/44/00/1066884400.db2.gz IJYHJFGIAFIGNV-HNNXBMFYSA-N -1 0 454.392 4.577 20 0 JJADRM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H]3CC[C@H](C)C[C@@H]3C)ccc2Cl)cc1 ZINC001457631676 1066886817 /nfs/dbraw/zinc/88/68/17/1066886817.db2.gz IFHQNILOKCARTE-AUSJPIAWSA-N -1 0 450.988 4.704 20 0 JJADRM CCCOc1ccc(CN(CCC)C(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)cc1OCC ZINC001457651602 1066890395 /nfs/dbraw/zinc/89/03/95/1066890395.db2.gz QLVRPQKMJDLNKT-UHFFFAOYSA-N -1 0 455.580 4.864 20 0 JJADRM CO[C@@H](CNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)c1)C(C)C ZINC001457672496 1066894845 /nfs/dbraw/zinc/89/48/45/1066894845.db2.gz WKEMZGPJNPZPOJ-SFHVURJKSA-N -1 0 459.395 4.503 20 0 JJADRM CC(C)C[C@H]1OCCC[C@@H]1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC001448134442 1066904050 /nfs/dbraw/zinc/90/40/50/1066904050.db2.gz JJIXBGFUAQJUKJ-DLBZAZTESA-N -1 0 457.017 4.526 20 0 JJADRM CC(C)C[C@@H]1OCCC[C@H]1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC001448134449 1066904080 /nfs/dbraw/zinc/90/40/80/1066904080.db2.gz JJIXBGFUAQJUKJ-SJORKVTESA-N -1 0 457.017 4.526 20 0 JJADRM O=C(c1nn(-c2c(Cl)cc(Cl)cc2Cl)cc1[O-])N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC001457734640 1066906556 /nfs/dbraw/zinc/90/65/56/1066906556.db2.gz YUUASTCETBTQIJ-STQMWFEESA-N -1 0 458.773 4.817 20 0 JJADRM Cc1cc(CNC(=O)OC(C)(C)C)oc1C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC001457735240 1066906700 /nfs/dbraw/zinc/90/67/00/1066906700.db2.gz NPSUVMIKRAAENB-UHFFFAOYSA-N -1 0 459.724 4.987 20 0 JJADRM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(CC)CCC3CC3)ccc2Cl)cc1 ZINC001457746828 1066909824 /nfs/dbraw/zinc/90/98/24/1066909824.db2.gz KXCROKDFLQYHSV-UHFFFAOYSA-N -1 0 450.988 4.802 20 0 JJADRM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)c3cccc4cccnc43)cc2)cc1 ZINC001448204406 1066909920 /nfs/dbraw/zinc/90/99/20/1066909920.db2.gz ZUAPUJJZGYLCLD-UHFFFAOYSA-N -1 0 459.527 4.515 20 0 JJADRM O=C(CCCCCn1c(=O)c2ccccc2[n-]c1=S)Nc1ccc(OC(F)F)cc1F ZINC001457776307 1066917556 /nfs/dbraw/zinc/91/75/56/1066917556.db2.gz KPCWLKGMWRGBAR-UHFFFAOYSA-N -1 0 451.470 4.625 20 0 JJADRM Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC001457783274 1066919014 /nfs/dbraw/zinc/91/90/14/1066919014.db2.gz SXBIQBSESADMDR-UHFFFAOYSA-N -1 0 450.495 4.577 20 0 JJADRM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1occc1COc1ccccc1 ZINC001457785385 1066919524 /nfs/dbraw/zinc/91/95/24/1066919524.db2.gz IKFXFCFZQDBMSP-HSZRJFAPSA-N -1 0 459.546 4.712 20 0 JJADRM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)CCc1ccc(OC)c(Cl)c1 ZINC001457790771 1066921711 /nfs/dbraw/zinc/92/17/11/1066921711.db2.gz ZJQVAVPTRPLOKL-HXUWFJFHSA-N -1 0 455.986 4.521 20 0 JJADRM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1cc2c(ccnc2Cl)s1 ZINC001457792337 1066922175 /nfs/dbraw/zinc/92/21/75/1066922175.db2.gz VGLCTCTXDBEAQF-MRXNPFEDSA-N -1 0 454.983 4.803 20 0 JJADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC001457807476 1066925520 /nfs/dbraw/zinc/92/55/20/1066925520.db2.gz QQQIOWXGGFQMEF-UHFFFAOYSA-N -1 0 455.294 4.891 20 0 JJADRM COCCCCc1cccnc1NC(=O)c1ccc(-n2[n-]c(Cc3ccccc3)cc2=O)cc1 ZINC001457813808 1066926664 /nfs/dbraw/zinc/92/66/64/1066926664.db2.gz LSBHNSSHYNAQQV-UHFFFAOYSA-N -1 0 456.546 4.638 20 0 JJADRM CO[C@](C)(CNC(=O)c1nn(-c2c(Cl)cc(Cl)cc2Cl)cc1[O-])c1ccccc1 ZINC001457816118 1066927124 /nfs/dbraw/zinc/92/71/24/1066927124.db2.gz BWPCYARDXWDDCP-HXUWFJFHSA-N -1 0 454.741 4.830 20 0 JJADRM CC[C@@H]1CCC[C@@H]1CNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2OC)c1 ZINC001457817469 1066927454 /nfs/dbraw/zinc/92/74/54/1066927454.db2.gz GCFDUPSARWKFLJ-NVXWUHKLSA-N -1 0 450.988 4.706 20 0 JJADRM CC[C@](C)(CNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)c1)OC ZINC001457821872 1066927929 /nfs/dbraw/zinc/92/79/29/1066927929.db2.gz IGAPCPHFZXXSSE-HXUWFJFHSA-N -1 0 459.395 4.648 20 0 JJADRM CCn1c(NC(=O)c2nn(-c3cc(Cl)c(Cl)cc3Cl)cc2[O-])nc2cccnc21 ZINC001457834673 1066931012 /nfs/dbraw/zinc/93/10/12/1066931012.db2.gz QGZVIFASUUHJKA-UHFFFAOYSA-N -1 0 451.701 4.555 20 0 JJADRM Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC001457909136 1066939822 /nfs/dbraw/zinc/93/98/22/1066939822.db2.gz NFEHUEQFURWOJE-XPTSAGLGSA-N -1 0 464.271 4.628 20 0 JJADRM COc1ccccc1NS(=O)(=O)c1ccc([O-])c(C(=O)Nc2ccc(C3CCC3)cc2)c1 ZINC001448618223 1066942668 /nfs/dbraw/zinc/94/26/68/1066942668.db2.gz UUJKFUWIYFRXRA-UHFFFAOYSA-N -1 0 452.532 4.721 20 0 JJADRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2)cc1NC(=O)c1ccc(OC(F)F)cc1 ZINC001448618078 1066942969 /nfs/dbraw/zinc/94/29/69/1066942969.db2.gz FJCGBBUAVMZULN-UHFFFAOYSA-N -1 0 450.438 4.789 20 0 JJADRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2)cc1NC(=O)c1ncccc1C(F)(F)F ZINC001448620063 1066944005 /nfs/dbraw/zinc/94/40/05/1066944005.db2.gz MEVLOADYEPMHOB-UHFFFAOYSA-N -1 0 453.417 4.601 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2CC2CCC2)ccc1C ZINC001457944968 1066945068 /nfs/dbraw/zinc/94/50/68/1066945068.db2.gz APOFFIADNIBYGP-OAQYLSRUSA-N -1 0 456.608 4.989 20 0 JJADRM Cc1ccc2c(c1)S[C@@H](C(=O)Nc1cc(S(=O)(=O)[N-]c3ccccc3)c(F)cc1C)C2 ZINC001448625035 1066945407 /nfs/dbraw/zinc/94/54/07/1066945407.db2.gz YAJJOISSNDJOKB-OAQYLSRUSA-N -1 0 456.564 4.899 20 0 JJADRM O=C(N[C@@H]1CCO[C@H]1c1ccccc1)c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1[O-] ZINC001457968402 1066949761 /nfs/dbraw/zinc/94/97/61/1066949761.db2.gz MNDGPMULJVJGNV-BEFAXECRSA-N -1 0 452.725 4.798 20 0 JJADRM O=C(NCc1ccc(-c2ccco2)cc1F)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC001448919110 1066969715 /nfs/dbraw/zinc/96/97/15/1066969715.db2.gz HQIMVPQKRXTABA-UHFFFAOYSA-N -1 0 456.520 4.878 20 0 JJADRM O=C(c1cc(Br)cc(Br)c1[O-])N1Cc2ccccc2C2(CCC2)C1 ZINC001449282770 1066995415 /nfs/dbraw/zinc/99/54/15/1066995415.db2.gz DAYIKKMMPLGQLT-UHFFFAOYSA-N -1 0 451.158 4.995 20 0 JJADRM CC[C@](NC(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-])(C(=O)OC)c1ccc(Cl)cc1 ZINC001449354717 1067002333 /nfs/dbraw/zinc/00/23/33/1067002333.db2.gz ZDFGWNIZBUKGFO-XMMPIXPASA-N -1 0 455.942 4.563 20 0 JJADRM COc1cccc([C@@H]2C[C@H]2NC(=O)c2nn(-c3ccc(Cl)cc3C(F)(F)F)cc2[O-])c1 ZINC001449574492 1067015673 /nfs/dbraw/zinc/01/56/73/1067015673.db2.gz YYQOANNEQHQERB-GOEBONIOSA-N -1 0 451.832 4.545 20 0 JJADRM CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(C4CC4)n3)ccc2OC)cc1 ZINC001450053786 1067044953 /nfs/dbraw/zinc/04/49/53/1067044953.db2.gz CRINMKCNPDTOFK-UHFFFAOYSA-N -1 0 451.548 4.583 20 0 JJADRM O=C(Nc1c(=O)[nH][n-]c1-c1ccccc1)c1cc(Oc2cccc(Br)c2)ccn1 ZINC001450173892 1067057283 /nfs/dbraw/zinc/05/72/83/1067057283.db2.gz WDKJPDNLPYBPPG-UHFFFAOYSA-N -1 0 451.280 4.984 20 0 JJADRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)N2CC(C)(C)[C@@H]2C(C)C)c1 ZINC001450465131 1067082950 /nfs/dbraw/zinc/08/29/50/1067082950.db2.gz FCWOPIVKWMSTOQ-FQEVSTJZSA-N -1 0 450.988 4.656 20 0 JJADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2cc(C3CC3)n(C)n2)c1C ZINC001450609053 1067095129 /nfs/dbraw/zinc/09/51/29/1067095129.db2.gz OQOKZZPWSZOHDK-UHFFFAOYSA-N -1 0 452.580 4.584 20 0 JJADRM COc1cccc(S([O-])=CC(=O)NC[C@H](OCc2ccccc2)c2ccc(Cl)cc2)c1 ZINC001450840215 1067130283 /nfs/dbraw/zinc/13/02/83/1067130283.db2.gz YCMGWXPLWLVFFQ-GTYOFVGBSA-N -1 0 457.979 4.531 20 0 JJADRM C[C@H](NC(=O)c1cc2ccccc2cc1[N-]S(=O)(=O)c1cccs1)c1cncc(F)c1 ZINC001451136507 1067148844 /nfs/dbraw/zinc/14/88/44/1067148844.db2.gz ZAMWZCRFWOTCEN-AWEZNQCLSA-N -1 0 455.536 4.727 20 0 JJADRM COC(=O)c1occc1COc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC001458934312 1067201863 /nfs/dbraw/zinc/20/18/63/1067201863.db2.gz HYMIYMQPLKLBCU-UHFFFAOYSA-N -1 0 456.303 4.753 20 0 JJADRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)N[C@H](C)C2CCCCC2)c1 ZINC001452004364 1067203156 /nfs/dbraw/zinc/20/31/56/1067203156.db2.gz SBLWPWAQLBQMEN-OAHLLOKOSA-N -1 0 450.988 4.848 20 0 JJADRM O=C(NCc1cc(Cl)cc(I)c1)c1cc(Cl)cc(Cl)c1[O-] ZINC001452030085 1067204109 /nfs/dbraw/zinc/20/41/09/1067204109.db2.gz MIEFEXWYPZNWHT-UHFFFAOYSA-N -1 0 456.494 4.887 20 0 JJADRM CCc1c([O-])nc(SCC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)n(-c2ccccc2C)c1=O ZINC001458944583 1067204346 /nfs/dbraw/zinc/20/43/46/1067204346.db2.gz HRDWFQFNFLRVIT-CABCVRRESA-N -1 0 454.514 4.839 20 0 JJADRM CC(C)(C)OC(=O)[C@H]1C[C@@H](NC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])c2ccccc21 ZINC001452746643 1067248013 /nfs/dbraw/zinc/24/80/13/1067248013.db2.gz RGJMZSHLNVXLNT-RBUKOAKNSA-N -1 0 453.926 4.531 20 0 JJADRM CC(C)(C)OC(=O)[C@@H]1C[C@@H](NC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])c2ccccc21 ZINC001452746645 1067248149 /nfs/dbraw/zinc/24/81/49/1067248149.db2.gz RGJMZSHLNVXLNT-RTBURBONSA-N -1 0 453.926 4.531 20 0 JJADRM CC(C)(C)OC(=O)[C@@H]1C[C@@H](NC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])c2ccccc21 ZINC001452746726 1067248472 /nfs/dbraw/zinc/24/84/72/1067248472.db2.gz SKBGQVBAFDPOMP-RTBURBONSA-N -1 0 453.926 4.531 20 0 JJADRM C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N-]S(=O)(=O)c2ccccc2)CCc2ccccc21 ZINC001452864462 1067258071 /nfs/dbraw/zinc/25/80/71/1067258071.db2.gz MLCUHPVHURWROD-QGZVFWFLSA-N -1 0 454.979 4.943 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N(C)C(C)(C)c2ccccc2)c1 ZINC001452917147 1067263980 /nfs/dbraw/zinc/26/39/80/1067263980.db2.gz IQSAECMGVHKWST-UHFFFAOYSA-N -1 0 452.576 4.812 20 0 JJADRM O=C(c1ccc([N-]S(=O)(=O)c2cccs2)cc1)N1CCCC[C@H]1Cc1ccccc1F ZINC001452940695 1067266079 /nfs/dbraw/zinc/26/60/79/1067266079.db2.gz IOFSDSQWJTUYLQ-FQEVSTJZSA-N -1 0 458.580 4.925 20 0 JJADRM O=C(CC1CC(c2ccccc2)C1)N1CC[C@@H](c2ccc(F)cc2)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001453129250 1067281843 /nfs/dbraw/zinc/28/18/43/1067281843.db2.gz MYQKIWFWHXTSCF-ZNJKDYDLSA-N -1 0 462.487 4.773 20 0 JJADRM CN(Cc1ccns1)C(=O)c1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC001453127605 1067282093 /nfs/dbraw/zinc/28/20/93/1067282093.db2.gz BREYYNYNSRYUAD-UHFFFAOYSA-N -1 0 456.376 4.523 20 0 JJADRM O=C(CCc1ccc(C(F)F)cc1)N1CC[C@@H](c2ccc(F)cc2)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001453134195 1067282584 /nfs/dbraw/zinc/28/25/84/1067282584.db2.gz WYOVYCMHMDRTJL-OALUTQOASA-N -1 0 472.429 4.759 20 0 JJADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)Nc2ccccc2NC(C)C)c1 ZINC001453564982 1067314971 /nfs/dbraw/zinc/31/49/71/1067314971.db2.gz QMWBTGYSAYVNTR-UHFFFAOYSA-N -1 0 453.564 4.877 20 0 JJADRM O=C([N-][C@@H]1CN(C(=O)c2ccc(Oc3ccccc3)o2)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001453685473 1067321912 /nfs/dbraw/zinc/32/19/12/1067321912.db2.gz RHVJQCJUHMYRFC-RTBURBONSA-N -1 0 458.436 4.749 20 0 JJADRM COc1ccc(C(=O)N2CCCC[C@@H]2CC2CCC2)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC001453879946 1067333907 /nfs/dbraw/zinc/33/39/07/1067333907.db2.gz BURLVRDUQVYCKZ-JOCHJYFZSA-N -1 0 456.608 4.989 20 0 JJADRM CC(C)c1c(NC(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)cnn1-c1ccccc1Cl ZINC001459759886 1067411477 /nfs/dbraw/zinc/41/14/77/1067411477.db2.gz JDFJRHFOFSUPOS-UHFFFAOYSA-N -1 0 454.836 4.673 20 0 JJADRM CC1(C)CCC(C)(C)c2cc(C(=O)N3CCC([C@@H]4OCC[C@H]4[N-]C(=O)C(F)(F)F)CC3)ccc21 ZINC001460035719 1067535747 /nfs/dbraw/zinc/53/57/47/1067535747.db2.gz BWDSAECGGLJDMJ-RTWAWAEBSA-N -1 0 480.571 4.724 20 0 JJADRM Cc1cc(C(=O)Nc2cc(C)cc(C[N-]C(=O)C(F)(F)F)c2)nn1-c1cccc(Cl)c1 ZINC001460040025 1067536625 /nfs/dbraw/zinc/53/66/25/1067536625.db2.gz OOKWQJWQCAPOGO-UHFFFAOYSA-N -1 0 450.848 4.573 20 0 JJADRM COc1ccc([C@@H]2CCN([C@H](C)c3c(F)cccc3F)C[C@@H]2[N-]C(=O)C(F)(F)F)cc1F ZINC001460358881 1067617786 /nfs/dbraw/zinc/61/77/86/1067617786.db2.gz FGTGLVNGXNVMGJ-IAISJRAMSA-N -1 0 460.418 4.710 20 0 JJADRM COc1ccc([C@@H]2CCN(Cc3ccc(Cl)c(OC)c3)C[C@@H]2[N-]C(=O)C(F)(F)F)cc1F ZINC001460362138 1067618674 /nfs/dbraw/zinc/61/86/74/1067618674.db2.gz MPHGISIRLNNNQJ-YJBOKZPZSA-N -1 0 474.882 4.533 20 0 JJADRM O=C(CC(c1ccccc1)c1ccccc1)N1C[C@H]([N-]C(=O)C(F)(F)F)CC[C@H]1C(F)(F)F ZINC001461183791 1067794565 /nfs/dbraw/zinc/79/45/65/1067794565.db2.gz LOFWRHVIPHXPDT-MJGOQNOKSA-N -1 0 472.429 4.809 20 0 JJADRM O=C([N-][C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)C1)C(F)(F)F ZINC001461183939 1067794633 /nfs/dbraw/zinc/79/46/33/1067794633.db2.gz NMHKDHJHNZTVTN-LHMODEAPSA-N -1 0 477.232 4.697 20 0 JJADRM Cc1ccc(CCCC(=O)N2CC[C@@H](c3cccc(F)c3)[C@@H]([N-]C(=O)C(F)(F)F)C2)s1 ZINC001461419134 1067851737 /nfs/dbraw/zinc/85/17/37/1067851737.db2.gz NSBXDLAFIZLDKD-OALUTQOASA-N -1 0 456.505 4.582 20 0 JJADRM Cc1ccc(OCCCC(=O)N2CC[C@@H](c3cccc(F)c3)[C@@H]([N-]C(=O)C(F)(F)F)C2)cc1C ZINC001461418402 1067851825 /nfs/dbraw/zinc/85/18/25/1067851825.db2.gz LHVPZVNAOBZRSX-VXKWHMMOSA-N -1 0 480.502 4.665 20 0 JJADRM CCCCOc1ccc(C(=O)N2C[C@@H]([N-]C(=O)C(F)(F)F)CC[C@H]2C(F)(F)F)c(Cl)c1 ZINC001461575811 1067892264 /nfs/dbraw/zinc/89/22/64/1067892264.db2.gz MNFSHWQWNHJGSZ-NHYWBVRUSA-N -1 0 474.829 4.733 20 0 JJADRM Cc1ccc(Cc2nc(C(=O)Nc3cc(F)cc(C[N-]C(=O)C(F)(F)F)c3)cs2)cc1 ZINC001462006646 1067979039 /nfs/dbraw/zinc/97/90/39/1067979039.db2.gz GJVDAXCZOBKGMU-UHFFFAOYSA-N -1 0 451.445 4.612 20 0 JJADRM CC(C)C[C@@H](NCc1cc(Br)c([O-])c(Br)c1)C(=O)OC(C)(C)C ZINC001462023827 1067983283 /nfs/dbraw/zinc/98/32/83/1067983283.db2.gz QZHPCFSZXHIHAZ-CQSZACIVSA-N -1 0 451.199 4.763 20 0 JJADRM Cc1ccc(C)c(Oc2ccc(CNS(=O)(=O)c3cc(C(F)(F)F)ccc3[O-])cn2)c1 ZINC001462833038 1068183215 /nfs/dbraw/zinc/18/32/15/1068183215.db2.gz QAKCCBZAYPTHTA-UHFFFAOYSA-N -1 0 452.454 4.694 20 0 JJADRM CC(C)C[C@H]([N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl)c1ccc(Cl)cc1 ZINC001463152796 1068305319 /nfs/dbraw/zinc/30/53/19/1068305319.db2.gz HAABZDXWPDFODO-ZDUSSCGKSA-N -1 0 456.438 4.524 20 0 JJADRM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(OC)c(Cl)c3Cl)n2)cc1 ZINC001463321313 1068355369 /nfs/dbraw/zinc/35/53/69/1068355369.db2.gz BNYQWCWIUCITBC-NSHDSACASA-N -1 0 456.351 4.654 20 0 JJADRM COc1ccc([C@H]([N-]S(=O)(=O)c2ccc(Br)cc2Cl)C(F)(F)F)cc1 ZINC001463381180 1068378651 /nfs/dbraw/zinc/37/86/51/1068378651.db2.gz DDDMRKLKECJQHM-AWEZNQCLSA-N -1 0 458.683 4.693 20 0 JJADRM COC(=O)c1cc(Br)c(S(=O)(=O)[N-][C@@H](CC2CCC2)c2ccccc2)s1 ZINC001463428981 1068394308 /nfs/dbraw/zinc/39/43/08/1068394308.db2.gz FQMHMJZLCDBPLD-HNNXBMFYSA-N -1 0 458.399 4.507 20 0 JJADRM CC1(C)C[C@H](C(=O)Nc2ccc([N-]S(=O)(=O)c3c(Cl)cccc3Cl)cc2)CCO1 ZINC001463562888 1068444842 /nfs/dbraw/zinc/44/48/42/1068444842.db2.gz SNJLKLSWMGVINU-CYBMUJFWSA-N -1 0 457.379 4.938 20 0 JJADRM O=S(=O)([N-][C@H](c1cc(F)cc(Br)c1)C1CC1)c1c(F)c(F)cc(F)c1F ZINC001463571155 1068451191 /nfs/dbraw/zinc/45/11/91/1068451191.db2.gz XFUSAOYAVCXKKY-HNNXBMFYSA-N -1 0 456.230 4.574 20 0 JJADRM Cc1ccc(Sc2ccc(NC(=O)Cc3c(C)nc(-c4ncccn4)[n-]c3=O)cc2)c(C)c1 ZINC001463590797 1068458821 /nfs/dbraw/zinc/45/88/21/1068458821.db2.gz VKADFHVFMXKUGS-UHFFFAOYSA-N -1 0 457.559 4.897 20 0 JJADRM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C3(F)CCCCC3)ccc2OC)cc1 ZINC001463698455 1068497843 /nfs/dbraw/zinc/49/78/43/1068497843.db2.gz GIHXNLACUXKXJJ-UHFFFAOYSA-N -1 0 450.532 4.506 20 0 JJADRM COc1ccc2nc(NC(=O)c3cc(Br)c([O-])c(Br)c3)sc2c1 ZINC001463769989 1068518527 /nfs/dbraw/zinc/51/85/27/1068518527.db2.gz XQBMJUXBVUQFQS-UHFFFAOYSA-N -1 0 458.131 4.788 20 0 JJADRM Cc1csc([C@@H]([N-]S(=O)(=O)c2oc3ccccc3c2Br)C(F)(F)F)n1 ZINC001463792070 1068525232 /nfs/dbraw/zinc/52/52/32/1068525232.db2.gz HLZCCHBHTLNGIF-LLVKDONJSA-N -1 0 455.277 4.542 20 0 JJADRM CCOc1ccc([C@@H](NC(=O)c2nn(-c3cc(C)ccc3F)cc2[O-])C(C)C)cc1OCC ZINC001463800614 1068528990 /nfs/dbraw/zinc/52/89/90/1068528990.db2.gz PLPMSQXPFGOEGN-QHCPKHFHSA-N -1 0 455.530 4.950 20 0 JJADRM Cc1cc(S(=O)(=O)NCc2cccc3c2CCCN3C(=O)OC(C)(C)C)sc1Cl ZINC001463817716 1068534711 /nfs/dbraw/zinc/53/47/11/1068534711.db2.gz IKINAHHPRLYWIF-UHFFFAOYSA-N -1 0 457.017 4.876 20 0 JJADRM CC[C@H](NC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccco1)c2=O)c1ccc(Cl)cc1 ZINC001463879053 1068554104 /nfs/dbraw/zinc/55/41/04/1068554104.db2.gz VLAUFDOQROOZNA-IBGZPJMESA-N -1 0 453.951 4.861 20 0 JJADRM COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(Br)cc(F)c1[O-] ZINC001463913992 1068563488 /nfs/dbraw/zinc/56/34/88/1068563488.db2.gz JRBAUSNSKAEQJF-UHFFFAOYSA-N -1 0 452.198 4.590 20 0 JJADRM Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])cc1 ZINC001463914156 1068564258 /nfs/dbraw/zinc/56/42/58/1068564258.db2.gz PDMGBSWZVYFKNK-UHFFFAOYSA-N -1 0 454.482 4.955 20 0 JJADRM O=C(N[C@@H](c1cccs1)c1ccc(F)cc1)c1cccc([N-]S(=O)(=O)C(F)(F)F)c1 ZINC001464002257 1068585567 /nfs/dbraw/zinc/58/55/67/1068585567.db2.gz BCDBMYXOXZBANJ-QGZVFWFLSA-N -1 0 458.458 4.668 20 0 JJADRM O=C(N[C@H](c1ccccc1)C1CCCCC1)c1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC001464178943 1068645035 /nfs/dbraw/zinc/64/50/35/1068645035.db2.gz MJCMBNSXPQULLT-OAQYLSRUSA-N -1 0 455.605 4.995 20 0 JJADRM O=C(Nc1ccc(F)c([N-]S(=O)(=O)c2cccs2)c1)c1nc(Cl)sc1Cl ZINC001464229022 1068666354 /nfs/dbraw/zinc/66/63/54/1068666354.db2.gz QNFWFIAWCPJFCY-UHFFFAOYSA-N -1 0 452.341 4.704 20 0 JJADRM Cc1ccccc1OCCCC(=O)Nc1ccc(CNC(=O)c2cc(F)cc(F)c2[O-])cc1 ZINC001464246437 1068674718 /nfs/dbraw/zinc/67/47/18/1068674718.db2.gz YVUMURBFFJSVRB-UHFFFAOYSA-N -1 0 454.473 4.707 20 0 JJADRM O=C(Nc1cc(F)c(N2CCCC2)c(F)c1)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC001464334734 1068710143 /nfs/dbraw/zinc/71/01/43/1068710143.db2.gz MYPOMKUSOGRGSD-UHFFFAOYSA-N -1 0 452.383 4.727 20 0 JJADRM CCCN(C(=O)c1cnc(I)c([O-])c1)[C@H](C)c1cc2ccccc2o1 ZINC001464450098 1068750126 /nfs/dbraw/zinc/75/01/26/1068750126.db2.gz KAWOWOHFHHBPRF-GFCCVEGCSA-N -1 0 450.276 4.751 20 0 JJADRM COc1ccccc1C1(CNC(=O)c2nn(-c3ccccc3C(F)(F)F)cc2[O-])CCCC1 ZINC001464456694 1068753276 /nfs/dbraw/zinc/75/32/76/1068753276.db2.gz OFCPNOZHORIYDI-UHFFFAOYSA-N -1 0 459.468 4.847 20 0 JJADRM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2c[nH]c3ccc(Br)cc23)cc1Cl ZINC001464515934 1068770767 /nfs/dbraw/zinc/77/07/67/1068770767.db2.gz SPENJXAATQZAEQ-UHFFFAOYSA-N -1 0 458.721 4.563 20 0 JJADRM COCCN(C(=O)c1nn(-c2cccc(F)c2)cc1[O-])[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC001464553094 1068779521 /nfs/dbraw/zinc/77/95/21/1068779521.db2.gz PWZZWTBJINMETM-AWEZNQCLSA-N -1 0 451.420 4.586 20 0 JJADRM Cc1noc2ncc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4ccccc4C)c3)cc12 ZINC001464624681 1068802602 /nfs/dbraw/zinc/80/26/02/1068802602.db2.gz LPPGSUBRNWNRPB-UHFFFAOYSA-N -1 0 456.911 4.546 20 0 JJADRM COc1cc(C(=O)Nc2ccc(SC(C)(C)C)cc2C)cc([N-]S(C)(=O)=O)c1OC ZINC001464651027 1068811489 /nfs/dbraw/zinc/81/14/89/1068811489.db2.gz FBDQWQFHXCSUFJ-UHFFFAOYSA-N -1 0 452.598 4.527 20 0 JJADRM