smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc(NS(C)(=O)=O)c1OC ZINC000428017937 939146026 /nfs/dbraw/zinc/14/60/26/939146026.db2.gz QHTRJEVAYRSNOW-OAHLLOKOSA-N -1 1 408.432 1.631 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCN(C(=O)N2CCCC2)CC1 ZINC000625111191 1073502303 /nfs/dbraw/zinc/50/23/03/1073502303.db2.gz CRBJMUNDSIABPC-UHFFFAOYSA-N -1 1 400.483 1.344 20 0 HDADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NCCc2c[nH]c3cc(Cl)ccc23)o1 ZINC000673650898 1073565629 /nfs/dbraw/zinc/56/56/29/1073565629.db2.gz BXRWEDOHWXGAKY-UHFFFAOYSA-N -1 1 424.866 1.150 20 0 HDADMM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C1 ZINC000673681424 1073634221 /nfs/dbraw/zinc/63/42/21/1073634221.db2.gz FYQXYHVCYKIOCB-FZMZJTMJSA-N -1 1 409.439 1.406 20 0 HDADMM CSc1nc(C)c(CCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c(=O)[n-]1 ZINC000014231240 1073648048 /nfs/dbraw/zinc/64/80/48/1073648048.db2.gz KLCJDSRZFSROAZ-UHFFFAOYSA-N -1 1 410.521 1.622 20 0 HDADMM COc1ccc(CCNC(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)cc1 ZINC000014260211 1073656502 /nfs/dbraw/zinc/65/65/02/1073656502.db2.gz SAIJPMBOEZLZJT-UHFFFAOYSA-N -1 1 400.479 1.215 20 0 HDADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2COc3ccc(F)cc32)c(F)c1 ZINC000466543674 1073823938 /nfs/dbraw/zinc/82/39/38/1073823938.db2.gz VGRILJPWCOHXGE-ZDUSSCGKSA-N -1 1 404.416 1.748 20 0 HDADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3[nH]cnc3C(=O)c3ccccc3)CC2)n1 ZINC000509177026 1073931953 /nfs/dbraw/zinc/93/19/53/1073931953.db2.gz DXWRWSFHDHKKFR-UHFFFAOYSA-N -1 1 422.445 1.955 20 0 HDADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OCc3nnnn3C)c2)cc1 ZINC000785470312 1073940262 /nfs/dbraw/zinc/94/02/62/1073940262.db2.gz MYHXIAZMNIERGC-UHFFFAOYSA-N -1 1 417.447 1.767 20 0 HDADMM CNS(=O)(=O)c1csc(C(=O)[N-]c2n[nH]c(-c3ccc(OC)c(OC)c3)n2)c1 ZINC000673991185 1074013358 /nfs/dbraw/zinc/01/33/58/1074013358.db2.gz VHINLJSRAAHARC-UHFFFAOYSA-N -1 1 423.476 1.711 20 0 HDADMM CCOc1cc(NC2CCN(C(=O)c3coc(S(=O)(=O)[N-]C)c3)CC2)ncn1 ZINC000466611212 1074104783 /nfs/dbraw/zinc/10/47/83/1074104783.db2.gz SWKXNVUJTGRMIF-UHFFFAOYSA-N -1 1 409.468 1.093 20 0 HDADMM CCOc1cc(NC2CCN(C(=O)c3ccc(S(=O)(=O)[N-]C)o3)CC2)ncn1 ZINC000466613802 1074118258 /nfs/dbraw/zinc/11/82/58/1074118258.db2.gz KATBHSSENOXKQC-UHFFFAOYSA-N -1 1 409.468 1.093 20 0 HDADMM NC(=O)[C@H]1CCCN(Cc2ccccc2[N-]S(=O)(=O)c2cn3c(n2)CCCC3)C1 ZINC000509238163 1074602745 /nfs/dbraw/zinc/60/27/45/1074602745.db2.gz HIDDVBNGHVGBHJ-INIZCTEOSA-N -1 1 417.535 1.718 20 0 HDADMM O=C(CN1CCCCCC1=O)N1CCC([C@@H]2OCC[C@H]2[N-]C(=O)C(F)(F)F)CC1 ZINC001128973656 1074773061 /nfs/dbraw/zinc/77/30/61/1074773061.db2.gz IMHCWGVQBGRKEB-PBHICJAKSA-N -1 1 419.444 1.464 20 0 HDADMM Cc1sc(C(N)=O)cc1NS(=O)(=O)c1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1 ZINC000675277901 1074783941 /nfs/dbraw/zinc/78/39/41/1074783941.db2.gz RZLAWPGYELBTKX-JTQLQIEISA-N -1 1 423.472 1.394 20 0 HDADMM NC(=O)[C@H]1CCCN(Cc2ccccc2[N-]S(=O)(=O)c2cnc3n2CCC3)C1 ZINC000509240952 1074802460 /nfs/dbraw/zinc/80/24/60/1074802460.db2.gz OQJZYMDGMNJLBT-HNNXBMFYSA-N -1 1 403.508 1.327 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000429342043 1075129195 /nfs/dbraw/zinc/12/91/95/1075129195.db2.gz VBPXQFLLCBGSAM-UHFFFAOYSA-N -1 1 422.894 1.968 20 0 HDADMM CCOc1cccc(CCNC(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)n1 ZINC000675473275 1075167961 /nfs/dbraw/zinc/16/79/61/1075167961.db2.gz LFSRKYXGJKADSK-UHFFFAOYSA-N -1 1 415.494 1.412 20 0 HDADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000509349778 1075197929 /nfs/dbraw/zinc/19/79/29/1075197929.db2.gz GVVRFZVMYKEDIU-HNNXBMFYSA-N -1 1 419.507 1.025 20 0 HDADMM O=C([N-]c1n[nH]c(Cc2cccc(F)c2)n1)c1nc2ncc(Br)cn2n1 ZINC000554617212 1075217934 /nfs/dbraw/zinc/21/79/34/1075217934.db2.gz ONFQIAGCYZUJIY-UHFFFAOYSA-N -1 1 417.202 1.987 20 0 HDADMM O=C1CCCN1Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)c1 ZINC000675628445 1075243298 /nfs/dbraw/zinc/24/32/98/1075243298.db2.gz YQCSUDZUPILYCH-UHFFFAOYSA-N -1 1 420.512 1.940 20 0 HDADMM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3cccc(NC(=O)C(N)=O)c3)cc2)co1 ZINC000509376504 1075328508 /nfs/dbraw/zinc/32/85/08/1075328508.db2.gz RTHANADOCCIFRW-UHFFFAOYSA-N -1 1 400.416 1.875 20 0 HDADMM O=C(CCC(=O)N1CCN(c2ccccc2)CC1)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000676037723 1075331956 /nfs/dbraw/zinc/33/19/56/1075331956.db2.gz GKULJMUAIIOBEP-OAQYLSRUSA-N -1 1 419.489 1.534 20 0 HDADMM CC(=O)Nc1cccc(NC(=O)COC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000731448205 1075344396 /nfs/dbraw/zinc/34/43/96/1075344396.db2.gz ACXGVHKLYXPHQZ-UHFFFAOYSA-N -1 1 411.418 1.735 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCC(=O)N[C@H]1CCOc2ccccc21 ZINC000731448160 1075344827 /nfs/dbraw/zinc/34/48/27/1075344827.db2.gz YSJVKWSFBVQOBZ-INIZCTEOSA-N -1 1 410.430 1.777 20 0 HDADMM NC(=O)c1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)n[nH]1 ZINC000676107546 1075384849 /nfs/dbraw/zinc/38/48/49/1075384849.db2.gz VYWLMWLOEATVEN-UHFFFAOYSA-N -1 1 403.395 1.701 20 0 HDADMM CS(=O)(=O)c1ccc(S(=O)(=O)Nc2cc3c(cc2C(=O)[O-])CCCC3)cn1 ZINC000509395773 1075466788 /nfs/dbraw/zinc/46/67/88/1075466788.db2.gz FPHHSKFRFGQQAI-UHFFFAOYSA-N -1 1 410.473 1.863 20 0 HDADMM O=C(CCCc1ccccc1)N[C@@H]1CCCN(C(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC000804129837 1075497734 /nfs/dbraw/zinc/49/77/34/1075497734.db2.gz QCYCGFZYFWCACR-GOSISDBHSA-N -1 1 412.490 1.057 20 0 HDADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)Nc1cccc(OCC(F)F)n1 ZINC000490315507 1075519611 /nfs/dbraw/zinc/51/96/11/1075519611.db2.gz LXVGIXQRYLGZNG-UHFFFAOYSA-N -1 1 423.420 1.937 20 0 HDADMM C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])[C@H]1CN(C)CCO1 ZINC000676348687 1075520894 /nfs/dbraw/zinc/52/08/94/1075520894.db2.gz RAHASIPGDMQFNU-RYGJVYDSSA-N -1 1 411.502 1.985 20 0 HDADMM Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000731852693 1075534164 /nfs/dbraw/zinc/53/41/64/1075534164.db2.gz CFPKXFHGAUVZAY-KRWDZBQOSA-N -1 1 406.450 1.545 20 0 HDADMM O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000731852731 1075534706 /nfs/dbraw/zinc/53/47/06/1075534706.db2.gz FAPZXSRHUWXAHE-ROUUACIJSA-N -1 1 406.446 1.661 20 0 HDADMM O=C(CCCN1C(=O)c2cccc3cccc(c32)C1=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000731854053 1075535993 /nfs/dbraw/zinc/53/59/93/1075535993.db2.gz RJBBEZICKSFDSW-INIZCTEOSA-N -1 1 420.429 1.329 20 0 HDADMM O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000731855376 1075537060 /nfs/dbraw/zinc/53/70/60/1075537060.db2.gz KANGZLMDUXDALK-ZDUSSCGKSA-N -1 1 404.228 1.566 20 0 HDADMM C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000731855023 1075537316 /nfs/dbraw/zinc/53/73/16/1075537316.db2.gz BBEZHCYPBAFGMW-PELKAZGASA-N -1 1 400.208 1.469 20 0 HDADMM Cc1cccc(C2N=NC(=S)N2CCC(=O)N2CCO[C@H](c3nn[n-]n3)C2)c1 ZINC000731854988 1075537973 /nfs/dbraw/zinc/53/79/73/1075537973.db2.gz NVPUYXBLANJDAO-ZDUSSCGKSA-N -1 1 400.468 1.046 20 0 HDADMM Cc1ccc(C(=O)NCCn2ncnn2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000676391440 1075541225 /nfs/dbraw/zinc/54/12/25/1075541225.db2.gz OZLFUBYIPZYGQB-UHFFFAOYSA-N -1 1 420.882 1.866 20 0 HDADMM C[C@H](CCO)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000676395961 1075542189 /nfs/dbraw/zinc/54/21/89/1075542189.db2.gz LAMSJNZHFFNRBB-GFCCVEGCSA-N -1 1 418.475 1.818 20 0 HDADMM NC(=O)C1(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)CCOCC1 ZINC000676398832 1075543471 /nfs/dbraw/zinc/54/34/71/1075543471.db2.gz JCAWHMDBKVRFIU-UHFFFAOYSA-N -1 1 403.460 1.252 20 0 HDADMM O=C(CSc1nncn1-c1cccc(Cl)c1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000731879912 1075551592 /nfs/dbraw/zinc/55/15/92/1075551592.db2.gz ADMVZHFMLWFMKF-GFCCVEGCSA-N -1 1 406.859 1.126 20 0 HDADMM C[C@H](CCO)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000676535780 1075579062 /nfs/dbraw/zinc/57/90/62/1075579062.db2.gz MYMWDOBDBMGHSF-CYBMUJFWSA-N -1 1 406.460 1.759 20 0 HDADMM CC(=O)N[C@H](CC(=O)N1CCO[C@@H](c2nn[n-]n2)C1)c1ccc(Br)cc1 ZINC000732089260 1075623878 /nfs/dbraw/zinc/62/38/78/1075623878.db2.gz DESAKTXZMMTKNW-ZIAGYGMSSA-N -1 1 423.271 1.130 20 0 HDADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCCc3nnc(N)o3)c2)cc1 ZINC000470949751 1075624899 /nfs/dbraw/zinc/62/48/99/1075624899.db2.gz PKNTYOINSGXTGM-UHFFFAOYSA-N -1 1 417.447 1.434 20 0 HDADMM O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCO[C@H](c2nn[n-]n2)C1)c1ccccc1 ZINC000732090955 1075625233 /nfs/dbraw/zinc/62/52/33/1075625233.db2.gz WPDBEQNORNSOKA-ROUUACIJSA-N -1 1 406.446 1.141 20 0 HDADMM O=C(C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732091365 1075627563 /nfs/dbraw/zinc/62/75/63/1075627563.db2.gz ATTYNJALCPLRON-ZDUSSCGKSA-N -1 1 411.388 1.430 20 0 HDADMM O=C(CCNC(=O)N1CCc2ccccc2C1)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000732276985 1075687144 /nfs/dbraw/zinc/68/71/44/1075687144.db2.gz ZGJKPFUUQLMURS-LJQANCHMSA-N -1 1 405.462 1.563 20 0 HDADMM CC(C)(C)OC(=O)NC[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)C1CCCCC1 ZINC000732300651 1075693647 /nfs/dbraw/zinc/69/36/47/1075693647.db2.gz QMIMKHWFMSSDEX-OAHLLOKOSA-N -1 1 408.499 1.517 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000732305984 1075694369 /nfs/dbraw/zinc/69/43/69/1075694369.db2.gz UIBCVTSAHVBFNR-GFCCVEGCSA-N -1 1 407.268 1.084 20 0 HDADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)NCCc1nc(N)no1 ZINC000461541375 1075708822 /nfs/dbraw/zinc/70/88/22/1075708822.db2.gz ASBNSKROOINKOZ-UHFFFAOYSA-N -1 1 419.438 1.873 20 0 HDADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCc3nnc(N)o3)ccc2C)c1 ZINC000552435951 1075715761 /nfs/dbraw/zinc/71/57/61/1075715761.db2.gz HCSBDPOCIWOAJR-UHFFFAOYSA-N -1 1 401.448 1.999 20 0 HDADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NCCc2nc(N)no2)c1 ZINC000461544405 1075723033 /nfs/dbraw/zinc/72/30/33/1075723033.db2.gz QODJFNYJFYUOOM-UHFFFAOYSA-N -1 1 415.475 2.042 20 0 HDADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)OCC(=O)Nc1ccccc1 ZINC000732572200 1075782396 /nfs/dbraw/zinc/78/23/96/1075782396.db2.gz ZYMGSLMRPANNHK-UHFFFAOYSA-N -1 1 400.435 1.442 20 0 HDADMM CCc1cnc(C[N-]S(=O)(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)o1 ZINC000509272011 1075790423 /nfs/dbraw/zinc/79/04/23/1075790423.db2.gz UHZHCMALBIZASQ-UHFFFAOYSA-N -1 1 401.510 1.746 20 0 HDADMM NC(=O)CCn1ccc(NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)n1 ZINC000519371365 1075833216 /nfs/dbraw/zinc/83/32/16/1075833216.db2.gz KJFYFSLZDUSXIF-UHFFFAOYSA-N -1 1 404.224 1.615 20 0 HDADMM CN(CC(=O)N1CCC(c2n[n-]c(=O)o2)CC1)C(=O)c1ccc(Br)o1 ZINC000509295152 1075864011 /nfs/dbraw/zinc/86/40/11/1075864011.db2.gz FLQPWIZXTZYGFM-UHFFFAOYSA-N -1 1 413.228 1.609 20 0 HDADMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)ccc1N1C(=O)CCC1=O ZINC000732951992 1075917853 /nfs/dbraw/zinc/91/78/53/1075917853.db2.gz WDZSSYDQNDVINI-UHFFFAOYSA-N -1 1 415.427 1.780 20 0 HDADMM COc1ccc(S(=O)(=O)[N-]c2ccc(N3C(=O)CCC3=O)c(C)c2)cc1C(N)=O ZINC000732951654 1075926946 /nfs/dbraw/zinc/92/69/46/1075926946.db2.gz QNHZZWPPMKOGSF-UHFFFAOYSA-N -1 1 417.443 1.557 20 0 HDADMM CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cnc4c(c3)COCC4)ccc2O1 ZINC000611466515 1075942048 /nfs/dbraw/zinc/94/20/48/1075942048.db2.gz UQKUFQHHTXQKLX-SFHVURJKSA-N -1 1 404.444 1.822 20 0 HDADMM O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1C[C@@H](c2cccc(F)c2)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001079192759 1075966882 /nfs/dbraw/zinc/96/68/82/1075966882.db2.gz ZSFMZBXVKYFOSD-DDVYYSQMSA-N -1 1 413.453 1.157 20 0 HDADMM COc1ccc(Cn2ncc(C)c2NC(=O)CCn2cc[n-]c(=O)c2=O)cc1OC ZINC000733147784 1075982729 /nfs/dbraw/zinc/98/27/29/1075982729.db2.gz DPHCBRJSODGYNH-UHFFFAOYSA-N -1 1 413.434 1.136 20 0 HDADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OCc3nnnn3C)c2)c1 ZINC000733379321 1076063024 /nfs/dbraw/zinc/06/30/24/1076063024.db2.gz DUVJWPPAOWLAAY-UHFFFAOYSA-N -1 1 401.448 1.985 20 0 HDADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OCc3nnnn3C)cc2)cc1 ZINC000733426856 1076067276 /nfs/dbraw/zinc/06/72/76/1076067276.db2.gz RJEVZNITTBVADI-UHFFFAOYSA-N -1 1 417.447 1.767 20 0 HDADMM CCc1cc2c(COC(=O)Cc3c(C)[nH]c4ccnn4c3=O)cc(=O)oc2cc1[O-] ZINC000733548214 1076111775 /nfs/dbraw/zinc/11/17/75/1076111775.db2.gz XDQHMSGGBXCTKM-UHFFFAOYSA-N -1 1 409.398 1.991 20 0 HDADMM CCn1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1C(=O)[O-] ZINC000532823769 1076239673 /nfs/dbraw/zinc/23/96/73/1076239673.db2.gz QSWVDBWRVWTTKD-UHFFFAOYSA-N -1 1 401.466 1.257 20 0 HDADMM CCn1cc(S(=O)(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)cc1C(=O)[O-] ZINC000535765981 1076253138 /nfs/dbraw/zinc/25/31/38/1076253138.db2.gz LCCUDCVNXILXNX-UHFFFAOYSA-N -1 1 413.477 1.448 20 0 HDADMM Cc1ccc(NC(=O)CCn2cc[n-]c(=O)c2=O)cc1S(=O)(=O)N1CCCCC1 ZINC000727848301 1076270524 /nfs/dbraw/zinc/27/05/24/1076270524.db2.gz HRTOKPWKKXPENQ-UHFFFAOYSA-N -1 1 420.491 1.048 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000727852114 1076271740 /nfs/dbraw/zinc/27/17/40/1076271740.db2.gz RQQXIAUXTQZGSW-CQSZACIVSA-N -1 1 408.252 1.289 20 0 HDADMM CC(=O)[N-]S(=O)(=O)c1ccc(N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)nc1 ZINC001164860259 721011756 /nfs/dbraw/zinc/01/17/56/721011756.db2.gz KNQHFTZBQPEWGK-CQSZACIVSA-N -1 1 420.539 1.524 20 0 HDADMM O=C([O-])[C@H](NC(=O)NCCCCN1CCN(c2ncccn2)CC1)C1CCCCC1 ZINC000780551969 939132499 /nfs/dbraw/zinc/13/24/99/939132499.db2.gz JISPXCSSSWORAI-GOSISDBHSA-N -1 1 418.542 1.712 20 0 HDADMM Cc1nc(C(=O)NC2(C(=O)[O-])CCCCCC2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000432003949 939171530 /nfs/dbraw/zinc/17/15/30/939171530.db2.gz VTCLVTYTMKNDLS-UHFFFAOYSA-N -1 1 401.349 1.620 20 0 HDADMM O=S(=O)([N-]c1cc(N2CCCS2(=O)=O)ccc1F)c1cccc2c1OCO2 ZINC000509076428 1073473945 /nfs/dbraw/zinc/47/39/45/1073473945.db2.gz WDMDVSXBEAHXOR-UHFFFAOYSA-N -1 1 414.436 1.895 20 0 HDADMM CO[C@@H](C)CS(=O)(=O)[N-]c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000509103818 1073533535 /nfs/dbraw/zinc/53/35/35/1073533535.db2.gz QSWUTGCSJQXZSJ-NSHDSACASA-N -1 1 412.917 1.138 20 0 HDADMM O=C(c1ccc(I)c([O-])c1)N1CCC2(CNC(=O)C2)CC1 ZINC000230900297 1073962373 /nfs/dbraw/zinc/96/23/73/1073962373.db2.gz HEHPUAMPZJTHJR-UHFFFAOYSA-N -1 1 400.216 1.739 20 0 HDADMM COc1ccc(NC(=O)NC2CCN(c3cccnn3)CC2)cc1[N-]S(C)(=O)=O ZINC000429203737 1074091195 /nfs/dbraw/zinc/09/11/95/1074091195.db2.gz WTNNRPUWUUCSTC-UHFFFAOYSA-N -1 1 420.495 1.647 20 0 HDADMM Cn1cc([N-]S(=O)(=O)c2ccsc2C(=O)N2CCC(c3nc[nH]n3)CC2)cn1 ZINC000674367056 1074295084 /nfs/dbraw/zinc/29/50/84/1074295084.db2.gz MDYNAXORRRPBER-UHFFFAOYSA-N -1 1 421.508 1.420 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000674667993 1074519406 /nfs/dbraw/zinc/51/94/06/1074519406.db2.gz RUUFGNYJCYMRTD-LLVKDONJSA-N -1 1 402.476 1.875 20 0 HDADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@H](O)C[C@H](O)C3)cc2)cc1 ZINC000674806206 1074572457 /nfs/dbraw/zinc/57/24/57/1074572457.db2.gz JQHGHXQNRXMMSU-HDICACEKSA-N -1 1 418.471 1.258 20 0 HDADMM NC(=O)[C@@H]1CCCN(Cc2ccccc2[N-]S(=O)(=O)c2cn3c(n2)CCCC3)C1 ZINC000509238166 1074602801 /nfs/dbraw/zinc/60/28/01/1074602801.db2.gz HIDDVBNGHVGBHJ-MRXNPFEDSA-N -1 1 417.535 1.718 20 0 HDADMM CC(C)(C)OC(=O)N1C[C@H](C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)[C@H](O)C1 ZINC000702784826 1074705473 /nfs/dbraw/zinc/70/54/73/1074705473.db2.gz NYLJNIOYFXBELD-GXSJLCMTSA-N -1 1 410.414 1.610 20 0 HDADMM CCOC(=O)c1c[n-]c(NC(=O)[C@H]2C[C@@H](OC)CN2C(=O)OCc2ccccc2)n1 ZINC001128946438 1074726954 /nfs/dbraw/zinc/72/69/54/1074726954.db2.gz PDHPKHZPNHCLTA-GDBMZVCRSA-N -1 1 416.434 1.951 20 0 HDADMM C[C@H]1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)c2)C[C@H]1O ZINC000509310933 1074732159 /nfs/dbraw/zinc/73/21/59/1074732159.db2.gz RRKBXYXVELVKBR-BLLLJJGKSA-N -1 1 404.444 1.669 20 0 HDADMM O=C(NCCNc1cnccn1)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436681407 1074760179 /nfs/dbraw/zinc/76/01/79/1074760179.db2.gz RCPFKIRHSQEUQM-UHFFFAOYSA-N -1 1 413.384 2.555 20 0 HDADMM Cc1cc(NC(=O)C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)no1 ZINC000588140057 1074761389 /nfs/dbraw/zinc/76/13/89/1074761389.db2.gz MERIZGBDADSXRR-UHFFFAOYSA-N -1 1 414.443 2.039 20 0 HDADMM Cc1cc(CNC(=O)C(F)(F)F)cc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c1 ZINC001128974495 1074776053 /nfs/dbraw/zinc/77/60/53/1074776053.db2.gz HNPHSMZJIAWTIT-UHFFFAOYSA-N -1 1 408.340 1.197 20 0 HDADMM COc1ccc(NC(=O)C(=O)N2CCC[C@H]2c2nc(C)no2)cc1[N-]S(C)(=O)=O ZINC000509322425 1075094515 /nfs/dbraw/zinc/09/45/15/1075094515.db2.gz XNCDJDSOIXPPGX-ZDUSSCGKSA-N -1 1 423.451 1.060 20 0 HDADMM NC(=O)CNC(=O)c1cccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000041616057 1075117502 /nfs/dbraw/zinc/11/75/02/1075117502.db2.gz RUOVNWIKZRUAIL-UHFFFAOYSA-N -1 1 401.366 1.721 20 0 HDADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000042106619 1075145139 /nfs/dbraw/zinc/14/51/39/1075145139.db2.gz FPJGJBMCNBLNQK-INIZCTEOSA-N -1 1 406.442 1.981 20 0 HDADMM COCCCn1ccc(NC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)n1 ZINC000583843053 1075152036 /nfs/dbraw/zinc/15/20/36/1075152036.db2.gz WMTXVSMPSDTAHR-UHFFFAOYSA-N -1 1 421.306 2.143 20 0 HDADMM C[C@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)C[C@@H]1O ZINC000509339565 1075161501 /nfs/dbraw/zinc/16/15/01/1075161501.db2.gz BREYZNIFVOWCEX-GUYCJALGSA-N -1 1 418.471 1.711 20 0 HDADMM Cc1[nH]c2nc(S(=O)(=O)CCCCS(C)(=O)=O)nc-2cc1Br ZINC000675725578 1075263103 /nfs/dbraw/zinc/26/31/03/1075263103.db2.gz ZTWRFDZJOSLMNX-UHFFFAOYSA-N -1 1 410.315 1.627 20 0 HDADMM Cc1[n-]c2nc(S(=O)(=O)CCCCS(C)(=O)=O)nc-2cc1Br ZINC000675725578 1075263108 /nfs/dbraw/zinc/26/31/08/1075263108.db2.gz ZTWRFDZJOSLMNX-UHFFFAOYSA-N -1 1 410.315 1.627 20 0 HDADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@H]1CCN(C2CCCCC2)C1=O ZINC000675908954 1075294809 /nfs/dbraw/zinc/29/48/09/1075294809.db2.gz FZELPNPHDYXTPY-SFHVURJKSA-N -1 1 409.490 1.733 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000731447830 1075345218 /nfs/dbraw/zinc/34/52/18/1075345218.db2.gz MERJHOKJCAETAU-JKSUJKDBSA-N -1 1 402.451 1.307 20 0 HDADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cccc(NC(=O)C(N)=O)c3)cc2C[C@H]1C ZINC000509384783 1075374342 /nfs/dbraw/zinc/37/43/42/1075374342.db2.gz GWELOCDLZBXSEV-LLVKDONJSA-N -1 1 416.459 1.209 20 0 HDADMM CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)N[C@@H](c1nn[n-]n1)c1ccccc1)C2=O ZINC000676122651 1075394963 /nfs/dbraw/zinc/39/49/63/1075394963.db2.gz CSQNWXDLUUEIHT-QRWLVFNGSA-N -1 1 411.466 1.296 20 0 HDADMM CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)N[C@H](c1nn[n-]n1)c1ccccc1)C2=O ZINC000676122650 1075395179 /nfs/dbraw/zinc/39/51/79/1075395179.db2.gz CSQNWXDLUUEIHT-MGPUTAFESA-N -1 1 411.466 1.296 20 0 HDADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(CC[NH+](C)C)CC(=O)[O-])c2)cc1 ZINC000676206632 1075428717 /nfs/dbraw/zinc/42/87/17/1075428717.db2.gz WSWYUJTZZRNJJQ-UHFFFAOYSA-N -1 1 419.503 1.884 20 0 HDADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000509395622 1075482849 /nfs/dbraw/zinc/48/28/49/1075482849.db2.gz AZTOHWVIAOBQHG-SFHVURJKSA-N -1 1 405.458 1.698 20 0 HDADMM O=C(c1ccc(Cl)cc1)N1CCC[C@@H](C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)C1 ZINC000731852668 1075533999 /nfs/dbraw/zinc/53/39/99/1075533999.db2.gz ALSGIHPYDOPRMY-UKRRQHHQSA-N -1 1 404.858 1.305 20 0 HDADMM COc1cc(CCC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)ccc1OCC(F)(F)F ZINC000731854293 1075535954 /nfs/dbraw/zinc/53/59/54/1075535954.db2.gz XMCVZDJXZOLVQR-CQSZACIVSA-N -1 1 415.372 1.682 20 0 HDADMM O=C(C=Cc1ccc(I)o1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732092315 1075608406 /nfs/dbraw/zinc/60/84/06/1075608406.db2.gz XITQJWFCHSUZFG-MDHMXLOGSA-N -1 1 401.164 1.011 20 0 HDADMM C=CC(=O)NCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000732101887 1075613053 /nfs/dbraw/zinc/61/30/53/1075613053.db2.gz NGRDVFTYXMANPL-UHFFFAOYSA-N -1 1 403.460 1.528 20 0 HDADMM CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732088442 1075622172 /nfs/dbraw/zinc/62/21/72/1075622172.db2.gz BPPMPUGODXMPLN-QUCCMNQESA-N -1 1 422.489 1.636 20 0 HDADMM O=C([C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732089720 1075623137 /nfs/dbraw/zinc/62/31/37/1075623137.db2.gz CGNVMPZNTYIGMO-GWCFXTLKSA-N -1 1 411.249 1.460 20 0 HDADMM Cc1c(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)nnn1-c1ccc(-c2ccccc2)cc1 ZINC000732090746 1075624447 /nfs/dbraw/zinc/62/44/47/1075624447.db2.gz NKNKNDOVCPPVNL-GOSISDBHSA-N -1 1 416.445 1.970 20 0 HDADMM CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732090826 1075624494 /nfs/dbraw/zinc/62/44/94/1075624494.db2.gz VPAKCJMFHRPLAF-KGLIPLIRSA-N -1 1 424.914 1.305 20 0 HDADMM CN(Cc1ccccc1)C(=O)N1CCC(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)CC1 ZINC000732090632 1075624898 /nfs/dbraw/zinc/62/48/98/1075624898.db2.gz LDCRUGJGGIMCEV-QGZVFWFLSA-N -1 1 413.482 1.064 20 0 HDADMM O=C(Cn1c(Cc2ccccc2)nc2ccccc21)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732091793 1075626142 /nfs/dbraw/zinc/62/61/42/1075626142.db2.gz QHZHOXTUUFYPCY-GOSISDBHSA-N -1 1 403.446 1.740 20 0 HDADMM O=C(c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732091597 1075626538 /nfs/dbraw/zinc/62/65/38/1075626538.db2.gz KDHYVZDGVZTZIQ-ROUUACIJSA-N -1 1 405.414 1.868 20 0 HDADMM O=C(Cc1csc(NC(=O)c2ccccc2F)n1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732091533 1075626631 /nfs/dbraw/zinc/62/66/31/1075626631.db2.gz HMOJQSJICPYBAL-ZDUSSCGKSA-N -1 1 417.426 1.190 20 0 HDADMM CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2nn[n-]n2)c1 ZINC000732157904 1075640271 /nfs/dbraw/zinc/64/02/71/1075640271.db2.gz KYUURYWKJZHBRZ-UHFFFAOYSA-N -1 1 406.855 1.608 20 0 HDADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N(C)[C@@H]1CCCc2c1cnn2C ZINC000676675442 1075644012 /nfs/dbraw/zinc/64/40/12/1075644012.db2.gz IEPKXWVMVKQKRL-QGZVFWFLSA-N -1 1 414.510 1.529 20 0 HDADMM NC(=O)C1(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)CCC1 ZINC000676672289 1075648835 /nfs/dbraw/zinc/64/88/35/1075648835.db2.gz QLIWGKXUPDKYFI-UHFFFAOYSA-N -1 1 409.414 1.903 20 0 HDADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000732329839 1075705150 /nfs/dbraw/zinc/70/51/50/1075705150.db2.gz OTIPZBQLXRYLEK-INIZCTEOSA-N -1 1 406.464 1.534 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCc1ccc(NS(C)(=O)=O)cc1 ZINC000732338843 1075708727 /nfs/dbraw/zinc/70/87/27/1075708727.db2.gz ONCZWQQJBHLVEE-UHFFFAOYSA-N -1 1 404.448 1.709 20 0 HDADMM Cc1onc(N)c1S(=O)(=O)[N-][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000554896039 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COc1cccc(Cc2nnc([N-]C(=O)c3ccc(S(N)(=O)=O)s3)s2)c1 ZINC000554550717 1075479545 /nfs/dbraw/zinc/47/95/45/1075479545.db2.gz DADLCXBEIXSHPE-UHFFFAOYSA-N -1 1 410.502 2.099 20 0 HDADMM Cc1nc(C(=O)[N-]c2nnc(C(F)(F)F)s2)nn1-c1nc(C(F)(F)F)n[nH]1 ZINC000474315566 1075512202 /nfs/dbraw/zinc/51/22/02/1075512202.db2.gz HWAAYBHDMLZGJY-UHFFFAOYSA-N -1 1 413.267 1.835 20 0 HDADMM C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])[C@H]1CN(C)CCO1 ZINC000676348686 1075520682 /nfs/dbraw/zinc/52/06/82/1075520682.db2.gz RAHASIPGDMQFNU-CWFSZBLJSA-N -1 1 411.502 1.985 20 0 HDADMM Cc1ccc(C2N=NC(=S)N2CCC(=O)N2CCO[C@H](c3nn[n-]n3)C2)cc1 ZINC000731854736 1075536351 /nfs/dbraw/zinc/53/63/51/1075536351.db2.gz BVDHPFQOJZEIHI-ZDUSSCGKSA-N -1 1 400.468 1.046 20 0 HDADMM CC(C)(CO)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000676397481 1075543168 /nfs/dbraw/zinc/54/31/68/1075543168.db2.gz JQCBCIKGUZPYKD-UHFFFAOYSA-N -1 1 418.475 1.818 20 0 HDADMM CN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)NCc1nn[n-]n1 ZINC000731887437 1075556042 /nfs/dbraw/zinc/55/60/42/1075556042.db2.gz KOLDNQRGSBZTKW-UHFFFAOYSA-N -1 1 405.212 1.762 20 0 HDADMM Cc1cccc(C[C@@H](CO)NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)c1 ZINC000466732459 1075577678 /nfs/dbraw/zinc/57/76/78/1075577678.db2.gz DOPDYHPAPJGJTD-HNNXBMFYSA-N -1 1 416.496 1.388 20 0 HDADMM C[C@H](CCO)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000676536248 1075578639 /nfs/dbraw/zinc/57/86/39/1075578639.db2.gz VRJIWQYMUYWIOJ-LLVKDONJSA-N -1 1 404.448 1.570 20 0 HDADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000509421090 1075591901 /nfs/dbraw/zinc/59/19/01/1075591901.db2.gz XVZFMABHPKZHBV-UHFFFAOYSA-N -1 1 413.459 1.922 20 0 HDADMM Cn1ncnc1COc1ccc(S(=O)(=O)[N-]c2ccccc2-n2cncn2)cc1 ZINC000676559779 1075601019 /nfs/dbraw/zinc/60/10/19/1075601019.db2.gz WTVVVAKAKSVMDD-UHFFFAOYSA-N -1 1 411.447 1.776 20 0 HDADMM C=CC(=O)NCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000732099015 1075612444 /nfs/dbraw/zinc/61/24/44/1075612444.db2.gz AADRBRBTYUGHNT-UHFFFAOYSA-N -1 1 409.414 1.798 20 0 HDADMM O=C(c1ccc(I)c(F)c1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732089915 1075622554 /nfs/dbraw/zinc/62/25/54/1075622554.db2.gz SBQHDTLCJFQLDI-SNVBAGLBSA-N -1 1 403.155 1.157 20 0 HDADMM CC(=O)N[C@@H](CC(=O)N1CCO[C@H](c2nn[n-]n2)C1)c1ccc(Br)cc1 ZINC000732089257 1075623967 /nfs/dbraw/zinc/62/39/67/1075623967.db2.gz DESAKTXZMMTKNW-KBPBESRZSA-N -1 1 423.271 1.130 20 0 HDADMM O=C(Cn1c(Cc2ccccc2)nc2ccccc21)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732091794 1075626163 /nfs/dbraw/zinc/62/61/63/1075626163.db2.gz QHZHOXTUUFYPCY-SFHVURJKSA-N -1 1 403.446 1.740 20 0 HDADMM O=C(Nc1ccccc1F)N1CCC[C@H](C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)C1 ZINC000732091577 1075626474 /nfs/dbraw/zinc/62/64/74/1075626474.db2.gz JPRQDLHREDVUQX-SWLSCSKDSA-N -1 1 403.418 1.183 20 0 HDADMM CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)cc1 ZINC000732092407 1075627828 /nfs/dbraw/zinc/62/78/28/1075627828.db2.gz ZMKXHLBFWAYAFE-INIZCTEOSA-N -1 1 422.511 1.224 20 0 HDADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C3N=NC(=S)N3C(C)C)C2)o1 ZINC000732168225 1075658129 /nfs/dbraw/zinc/65/81/29/1075658129.db2.gz HMKUTDBTMRKYCL-LLVKDONJSA-N -1 1 413.525 1.669 20 0 HDADMM COC(=O)[C@](C)([N-]S(=O)(=O)c1c[nH]nc1C)c1cccc(Br)c1 ZINC000732221503 1075673869 /nfs/dbraw/zinc/67/38/69/1075673869.db2.gz CKUVQAJUOFAFDF-CQSZACIVSA-N -1 1 402.270 1.847 20 0 HDADMM Cc1c(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)nnn1Cc1ccncc1 ZINC001129266836 1075686171 /nfs/dbraw/zinc/68/61/71/1075686171.db2.gz NTUFIJLOGQZSKA-UHFFFAOYSA-N -1 1 418.479 1.952 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000732293569 1075701542 /nfs/dbraw/zinc/70/15/42/1075701542.db2.gz NAFMZKJENVQSCY-HNNXBMFYSA-N -1 1 408.861 1.500 20 0 HDADMM Cn1cc(N2CC[C@@H](OC(=O)c3ccc(S(=O)(=O)[N-]C(C)(C)C)o3)C2=O)cn1 ZINC000732328160 1075704575 /nfs/dbraw/zinc/70/45/75/1075704575.db2.gz PORCYRMMJNENJI-GFCCVEGCSA-N -1 1 410.452 1.052 20 0 HDADMM CN(C)C(=O)Cn1ccc(NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)n1 ZINC000444140517 1075705596 /nfs/dbraw/zinc/70/55/96/1075705596.db2.gz MNDKMAPLUQQURA-UHFFFAOYSA-N -1 1 418.251 1.828 20 0 HDADMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000572251231 1075731395 /nfs/dbraw/zinc/73/13/95/1075731395.db2.gz WSWFFPRWHRRQKV-SNVBAGLBSA-N -1 1 404.370 1.668 20 0 HDADMM Nc1nnc(CNC(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)o1 ZINC000552155308 1075741054 /nfs/dbraw/zinc/74/10/54/1075741054.db2.gz PLSDWLWGTSEPLA-UHFFFAOYSA-N -1 1 409.374 1.661 20 0 HDADMM Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCC(c3n[n-]c(=O)o3)CC2)cc1C ZINC000509261742 1075749402 /nfs/dbraw/zinc/74/94/02/1075749402.db2.gz DOSAACBRKWJWQC-UHFFFAOYSA-N -1 1 408.480 1.419 20 0 HDADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCc3nnc(N)o3)cc2)c1 ZINC000530438067 1075750012 /nfs/dbraw/zinc/75/00/12/1075750012.db2.gz RNKNHZNGBWGSBH-UHFFFAOYSA-N -1 1 401.448 1.999 20 0 HDADMM Cc1cc(C)c(S(=O)(=O)NCCC(=O)N2CCC(c3n[n-]c(=O)o3)CC2)c(C)c1 ZINC000509277094 1075803639 /nfs/dbraw/zinc/80/36/39/1075803639.db2.gz RORYSLHDMZYBDH-UHFFFAOYSA-N -1 1 422.507 1.775 20 0 HDADMM NC(=O)c1ncn2c1nc(-c1ccco1)cc2C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000509277640 1075809879 /nfs/dbraw/zinc/80/98/79/1075809879.db2.gz BVTGWHDMVKALJW-UHFFFAOYSA-N -1 1 423.389 1.197 20 0 HDADMM CCOC(=O)c1cnn(-c2ccc(C(=O)N3CCC[C@@H](c4nn[n-]n4)C3)cc2)c1C ZINC000611072347 1075825190 /nfs/dbraw/zinc/82/51/90/1075825190.db2.gz LWZQWLWAZFLQAB-OAHLLOKOSA-N -1 1 409.450 1.890 20 0 HDADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)CC(=O)OCC)c(OC)c1 ZINC000611182641 1075868875 /nfs/dbraw/zinc/86/88/75/1075868875.db2.gz CPXCXWALZYYHHX-UHFFFAOYSA-N -1 1 408.498 1.031 20 0 HDADMM CCOC(=O)[C@H](CO)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000611288508 1075894014 /nfs/dbraw/zinc/89/40/14/1075894014.db2.gz VYXCLIYOVPUTOJ-KRWDZBQOSA-N -1 1 422.459 1.150 20 0 HDADMM COC(=O)c1cc(NC(=O)C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cn1C ZINC000611359525 1075917964 /nfs/dbraw/zinc/91/79/64/1075917964.db2.gz ITPXUWATJBLVHZ-UHFFFAOYSA-N -1 1 413.430 1.577 20 0 HDADMM CSCC[C@H](C(=O)N1CCC[C@H](c2nn[n-]n2)C1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000611404178 1075925973 /nfs/dbraw/zinc/92/59/73/1075925973.db2.gz ICDHPLIELNQMPH-BYNSBNAKSA-N -1 1 420.539 1.203 20 0 HDADMM COCCNC(=O)CNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000017815049 1075937434 /nfs/dbraw/zinc/93/74/34/1075937434.db2.gz KFOAVUUIORDGAY-UHFFFAOYSA-N -1 1 419.503 1.597 20 0 HDADMM Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2c([O-])cccc2Cl)cc1 ZINC000143847096 1075946347 /nfs/dbraw/zinc/94/63/47/1075946347.db2.gz CKOFIDQGYPIJGJ-UHFFFAOYSA-N -1 1 411.867 1.436 20 0 HDADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OCCOc2ccccc2C(N)=O)o1 ZINC000733069383 1075968238 /nfs/dbraw/zinc/96/82/38/1075968238.db2.gz JSNVMZHLOWOUGK-UHFFFAOYSA-N -1 1 410.448 1.691 20 0 HDADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)o1 ZINC000733182998 1076010742 /nfs/dbraw/zinc/01/07/42/1076010742.db2.gz DYYGTWXUTSVJSI-TXEJJXNPSA-N -1 1 401.485 1.658 20 0 HDADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OCc3nnnn3C)cc2)cc1C ZINC000733412371 1076070247 /nfs/dbraw/zinc/07/02/47/1076070247.db2.gz LBZSQJAYGYCHKV-UHFFFAOYSA-N -1 1 401.448 1.985 20 0 HDADMM COC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)ccc1F ZINC000727360883 1076098563 /nfs/dbraw/zinc/09/85/63/1076098563.db2.gz NPKKHXTZJSOOIT-UHFFFAOYSA-N -1 1 403.413 1.452 20 0 HDADMM CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCC(N)=O)c2)cc1 ZINC000727797019 1076257555 /nfs/dbraw/zinc/25/75/55/1076257555.db2.gz IWJYWCLZHOSSEL-UHFFFAOYSA-N -1 1 419.459 1.269 20 0 HDADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)cc1 ZINC000144589585 1076263560 /nfs/dbraw/zinc/26/35/60/1076263560.db2.gz APAPXTCHNBVQEQ-HNNXBMFYSA-N -1 1 404.463 1.780 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000727853055 1076272419 /nfs/dbraw/zinc/27/24/19/1076272419.db2.gz LMVUQALYYZAILF-HNNXBMFYSA-N -1 1 406.280 1.923 20 0 HDADMM C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)CCn1cc[n-]c(=O)c1=O ZINC000727855047 1076273411 /nfs/dbraw/zinc/27/34/11/1076273411.db2.gz YDFHDUVFDPOMNV-HNNXBMFYSA-N -1 1 413.478 1.060 20 0 HDADMM COC1CN(C(=O)c2ccc(NC(=O)Cc3sc(N4CCCC4)nc3[O-])cc2)C1 ZINC000733965800 1076277853 /nfs/dbraw/zinc/27/78/53/1076277853.db2.gz JNEOUIZVAAOGQP-MRXNPFEDSA-N -1 1 416.503 1.580 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F ZINC000733984099 1076283691 /nfs/dbraw/zinc/28/36/91/1076283691.db2.gz ZHUOLAJPMIIDJU-LBPRGKRZSA-N -1 1 415.372 1.831 20 0 HDADMM CN(CCS(C)(=O)=O)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000728027040 1076310838 /nfs/dbraw/zinc/31/08/38/1076310838.db2.gz GDGNNPHVOBSQLJ-UHFFFAOYSA-N -1 1 414.480 1.743 20 0 HDADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 ZINC000730365497 1076554823 /nfs/dbraw/zinc/55/48/23/1076554823.db2.gz ABKRASSANLFRRY-AWEZNQCLSA-N -1 1 414.389 1.687 20 0 HDADMM O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1cccc(NC(=O)CN2CCCCCC2)c1 ZINC000730543527 1076596444 /nfs/dbraw/zinc/59/64/44/1076596444.db2.gz JIBIGABQKVDSEC-UHFFFAOYSA-N -1 1 423.477 1.524 20 0 HDADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)o1 ZINC000509085052 1073487756 /nfs/dbraw/zinc/48/77/56/1073487756.db2.gz WCIRCCBWFJZETK-UHFFFAOYSA-N -1 1 404.448 1.720 20 0 HDADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@H](OC)C(=O)OC(C)(C)C)c2)n1 ZINC001128518965 1073554298 /nfs/dbraw/zinc/55/42/98/1073554298.db2.gz FUXZXORXJOEERG-AWEZNQCLSA-N -1 1 418.450 1.621 20 0 HDADMM COc1cc(F)c(S(=O)(=O)[N-]CC(=O)Nc2ccc(-n3cncn3)cc2)c(F)c1 ZINC000673698731 1073642783 /nfs/dbraw/zinc/64/27/83/1073642783.db2.gz CEJDKGRWTCKFNV-UHFFFAOYSA-N -1 1 423.401 1.471 20 0 HDADMM CSc1nc(C)c(CCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c(=O)[n-]1 ZINC000014277586 1073682961 /nfs/dbraw/zinc/68/29/61/1073682961.db2.gz APGRRLDHEHYLKN-UHFFFAOYSA-N -1 1 424.548 1.930 20 0 HDADMM CNC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C(=O)OC)cc(C(=O)OC)c2)c1 ZINC000029324058 1073793546 /nfs/dbraw/zinc/79/35/46/1073793546.db2.gz FWZUDOSFRDJJMJ-UHFFFAOYSA-N -1 1 421.431 1.812 20 0 HDADMM COc1cccc(-c2nc(=NC(=O)C(=O)N3CC[C@H](N4CCCC4)C3)s[n-]2)c1 ZINC000543523594 1073997971 /nfs/dbraw/zinc/99/79/71/1073997971.db2.gz HFYYQXXMUASTDN-AWEZNQCLSA-N -1 1 401.492 1.271 20 0 HDADMM COc1cccc(-c2nc(=NC(=O)C(=O)N[C@H](C)CN3CCCCC3)s[n-]2)c1 ZINC000543532831 1074031715 /nfs/dbraw/zinc/03/17/15/1074031715.db2.gz NYIVNHFJQWAAFV-CYBMUJFWSA-N -1 1 403.508 1.565 20 0 HDADMM COCCOc1c(Cl)cc(S(=O)(=O)[N-]c2cc(C(N)=O)[nH]n2)cc1Cl ZINC000675138693 1074729593 /nfs/dbraw/zinc/72/95/93/1074729593.db2.gz RLZTZINQIYNLKQ-UHFFFAOYSA-N -1 1 409.251 1.641 20 0 HDADMM O=C(NCCNc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1)c1ccn[nH]1 ZINC000503317733 1074749521 /nfs/dbraw/zinc/74/95/21/1074749521.db2.gz PCBIZUUIKFVAQO-UHFFFAOYSA-N -1 1 422.417 1.726 20 0 HDADMM CCOC(=O)c1n[n-]c(C2CCN(S(=O)(=O)c3cccc4c3OCO4)CC2)n1 ZINC000509239521 1074756973 /nfs/dbraw/zinc/75/69/73/1074756973.db2.gz KGWGXKRDCYGQOT-UHFFFAOYSA-N -1 1 408.436 1.278 20 0 HDADMM COCCO[C@H]1CCCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000509317000 1074774262 /nfs/dbraw/zinc/77/42/62/1074774262.db2.gz NLCSGCQEUOZRFN-ZDUSSCGKSA-N -1 1 410.489 1.013 20 0 HDADMM Cn1cc(S(=O)(=O)[N-]c2ccc(-c3ccc(Cl)s3)nc2)c(=O)n(C)c1=O ZINC000509247048 1075145818 /nfs/dbraw/zinc/14/58/18/1075145818.db2.gz JOTDNKRRQQFGCQ-UHFFFAOYSA-N -1 1 412.880 1.662 20 0 HDADMM CN(CC(=O)N1CCCC1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000143890757 1075148882 /nfs/dbraw/zinc/14/88/82/1075148882.db2.gz WFMKARKRBWDLHZ-UHFFFAOYSA-N -1 1 402.476 1.577 20 0 HDADMM Cc1cccc(C)c1OC[C@@H](O)CNC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000675581103 1075211711 /nfs/dbraw/zinc/21/17/11/1075211711.db2.gz XZJOEUGVDMGAMP-SFHVURJKSA-N -1 1 422.485 1.856 20 0 HDADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(F)c(F)cc2C(N)=O)o1 ZINC001129107561 1075287164 /nfs/dbraw/zinc/28/71/64/1075287164.db2.gz HXPRKEQSDLJGEJ-UHFFFAOYSA-N -1 1 401.391 1.986 20 0 HDADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)[C@@H]2CC(=O)N(C3CCC(C)CC3)C2)cc1 ZINC000731383822 1075324983 /nfs/dbraw/zinc/32/49/83/1075324983.db2.gz SIDAPCGFWHTIET-ARWYELJZSA-N -1 1 416.474 1.922 20 0 HDADMM O=C(CCC(=O)N1CCN(c2ccccc2)CC1)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000676037722 1075332108 /nfs/dbraw/zinc/33/21/08/1075332108.db2.gz GKULJMUAIIOBEP-NRFANRHFSA-N -1 1 419.489 1.534 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000731447825 1075345078 /nfs/dbraw/zinc/34/50/78/1075345078.db2.gz MERJHOKJCAETAU-HOTGVXAUSA-N -1 1 402.451 1.307 20 0 HDADMM COC(=O)c1cccn2cc(COC(=O)Cc3c(C)nc4cc(=O)[n-]n4c3C)nc12 ZINC000731448067 1075345229 /nfs/dbraw/zinc/34/52/29/1075345229.db2.gz VGAGFRQONPHUHN-UHFFFAOYSA-N -1 1 409.402 1.772 20 0 HDADMM CS(=O)(=O)CCS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000731596506 1075404941 /nfs/dbraw/zinc/40/49/41/1075404941.db2.gz MTKBZFDSSYDOPU-UHFFFAOYSA-N -1 1 403.503 1.306 20 0 HDADMM CN(c1c(F)cccc1C(N)=O)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000543661440 1075410111 /nfs/dbraw/zinc/41/01/11/1075410111.db2.gz BEOXYHNWVFNCNM-UHFFFAOYSA-N -1 1 419.431 1.260 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC(C2N=NC(=S)N2C)CC1 ZINC000731634590 1075412131 /nfs/dbraw/zinc/41/21/31/1075412131.db2.gz KVHLJRVEDVYAMA-UHFFFAOYSA-N -1 1 401.496 1.418 20 0 HDADMM NC(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)n[nH]1 ZINC000676204990 1075426837 /nfs/dbraw/zinc/42/68/37/1075426837.db2.gz IRJJZQKGEUUWJU-UHFFFAOYSA-N -1 1 403.395 1.701 20 0 HDADMM COc1ccc(S(=O)(=O)[N-]c2cccc3c2CCN3S(C)(=O)=O)cc1OC ZINC000543664247 1075437897 /nfs/dbraw/zinc/43/78/97/1075437897.db2.gz PRPRDIQZHLFMOV-UHFFFAOYSA-N -1 1 412.489 1.827 20 0 HDADMM C[C@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)[C@@H]1CN(C)CCO1 ZINC000676257908 1075452762 /nfs/dbraw/zinc/45/27/62/1075452762.db2.gz NTKGWLYJJMEDLV-KXBFYZLASA-N -1 1 403.504 1.936 20 0 HDADMM CCCN(C)[C@@H](CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ccc(Cl)cc1 ZINC000804128630 1075501714 /nfs/dbraw/zinc/50/17/14/1075501714.db2.gz ZTXRUUPKEQIJMX-INIZCTEOSA-N -1 1 402.886 1.924 20 0 HDADMM CCCC[C@H](NC(=O)NCC)C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000676362568 1075524985 /nfs/dbraw/zinc/52/49/85/1075524985.db2.gz FNCJJDJDYSSFSG-ZDUSSCGKSA-N -1 1 400.501 1.883 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 ZINC000731829599 1075525946 /nfs/dbraw/zinc/52/59/46/1075525946.db2.gz HAPZDEBLHPOJDQ-UHFFFAOYSA-N -1 1 413.821 1.866 20 0 HDADMM CS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)NCC3)cc1F ZINC000676351377 1075528703 /nfs/dbraw/zinc/52/87/03/1075528703.db2.gz BFZMNZCIJGOGFD-UHFFFAOYSA-N -1 1 413.452 1.284 20 0 HDADMM Cc1nn(C)c2ncc([N-]S(=O)(=O)c3ccc(NS(C)(=O)=O)c(F)c3)cc12 ZINC000676351607 1075528872 /nfs/dbraw/zinc/52/88/72/1075528872.db2.gz MXASGPYCONAMLT-UHFFFAOYSA-N -1 1 413.456 1.588 20 0 HDADMM O=C([C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000731853751 1075535395 /nfs/dbraw/zinc/53/53/95/1075535395.db2.gz PDVTWXNAQKWVKO-OCCSQVGLSA-N -1 1 424.383 1.167 20 0 HDADMM Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000731855629 1075536777 /nfs/dbraw/zinc/53/67/77/1075536777.db2.gz XIBXYJVXSXHIAY-CYBMUJFWSA-N -1 1 405.821 1.759 20 0 HDADMM O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000731855375 1075536985 /nfs/dbraw/zinc/53/69/85/1075536985.db2.gz KANGZLMDUXDALK-CYBMUJFWSA-N -1 1 404.228 1.566 20 0 HDADMM O=C(c1cc(Cl)ccc1I)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000731855335 1075537150 /nfs/dbraw/zinc/53/71/50/1075537150.db2.gz ZJUQHKOSHBPWNI-JTQLQIEISA-N -1 1 419.610 1.671 20 0 HDADMM COc1cc(NC(=O)N2CCN(CC(C)C)C(=O)[C@@H]2C)ccc1[N-]S(C)(=O)=O ZINC000429433750 1075544668 /nfs/dbraw/zinc/54/46/68/1075544668.db2.gz WLRDJDZZZQYCMW-ZDUSSCGKSA-N -1 1 412.512 1.787 20 0 HDADMM O=C(c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000731880310 1075551181 /nfs/dbraw/zinc/55/11/81/1075551181.db2.gz JLDSZEKKFZYDLE-MRXNPFEDSA-N -1 1 410.434 1.342 20 0 HDADMM O=C(c1cnn(-c2ccc(F)cc2)c1-n1cccc1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000731880110 1075551237 /nfs/dbraw/zinc/55/12/37/1075551237.db2.gz FSGHUZQHPCPMLJ-INIZCTEOSA-N -1 1 408.397 1.529 20 0 HDADMM O=C(c1cccc(OCc2cn3ccccc3n2)c1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000731879924 1075551951 /nfs/dbraw/zinc/55/19/51/1075551951.db2.gz AKRRCEVDWHURMO-KRWDZBQOSA-N -1 1 405.418 1.640 20 0 HDADMM Cc1ccc2nc(COc3cccc(C(=O)N4CCO[C@H](c5nn[n-]n5)C4)c3)cn2c1 ZINC000731880764 1075552101 /nfs/dbraw/zinc/55/21/01/1075552101.db2.gz SBXALNGBFFFFGA-SFHVURJKSA-N -1 1 419.445 1.949 20 0 HDADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc4c(cnn4C(F)F)c3)cc2[nH]c1=O ZINC000676560162 1075601077 /nfs/dbraw/zinc/60/10/77/1075601077.db2.gz UDFPYWBDNRXEQS-UHFFFAOYSA-N -1 1 407.358 1.762 20 0 HDADMM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000732047322 1075607341 /nfs/dbraw/zinc/60/73/41/1075607341.db2.gz XVQPANYBJCFMQW-UHFFFAOYSA-N -1 1 405.436 1.103 20 0 HDADMM O=C(c1ccc(Cl)s1)N1CCC(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)CC1 ZINC000732092343 1075608414 /nfs/dbraw/zinc/60/84/14/1075608414.db2.gz YDCQBBNHCFICRK-LLVKDONJSA-N -1 1 410.887 1.367 20 0 HDADMM C=CC(=O)NCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000732102466 1075613629 /nfs/dbraw/zinc/61/36/29/1075613629.db2.gz ZEVJWRYFNPLUEK-UHFFFAOYSA-N -1 1 405.451 1.967 20 0 HDADMM C=CC(=O)NCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OCC)cc2)c1 ZINC000732102250 1075613943 /nfs/dbraw/zinc/61/39/43/1075613943.db2.gz VKLCGPCLWNAESB-UHFFFAOYSA-N -1 1 417.487 1.918 20 0 HDADMM O=C(N1CCO[C@H](c2nn[n-]n2)C1)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000732088718 1075621674 /nfs/dbraw/zinc/62/16/74/1075621674.db2.gz GFNUYONTULVPTD-MEDUHNTESA-N -1 1 406.855 1.382 20 0 HDADMM CCCCCCn1nc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)c2ccccc2c1=O ZINC000732090048 1075623941 /nfs/dbraw/zinc/62/39/41/1075623941.db2.gz GVSDAQFKVCLWPM-INIZCTEOSA-N -1 1 411.466 1.704 20 0 HDADMM O=C(OCc1ccccc1)N1CCC(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)CC1 ZINC000732090927 1075624410 /nfs/dbraw/zinc/62/44/10/1075624410.db2.gz QOAMDCGEIBUJSB-INIZCTEOSA-N -1 1 400.439 1.148 20 0 HDADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCCc3nc(N)no3)cc2)cc1 ZINC000478870395 1075624977 /nfs/dbraw/zinc/62/49/77/1075624977.db2.gz CZYDBFAJEVALAB-UHFFFAOYSA-N -1 1 417.447 1.434 20 0 HDADMM CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732091716 1075626184 /nfs/dbraw/zinc/62/61/84/1075626184.db2.gz OCYLWAAPSOSOII-HUUCEWRRSA-N -1 1 406.874 1.598 20 0 HDADMM COc1ccc(Br)cc1C(=O)CCC(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732091255 1075627124 /nfs/dbraw/zinc/62/71/24/1075627124.db2.gz WSSZXFGFIXPJNB-AWEZNQCLSA-N -1 1 424.255 1.534 20 0 HDADMM O=C(c1cnn(-c2ncccc2Cl)c1C(F)F)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732092402 1075627796 /nfs/dbraw/zinc/62/77/96/1075627796.db2.gz ZGTMFRXXNWTSKC-JTQLQIEISA-N -1 1 410.772 1.585 20 0 HDADMM CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)NCc2nn[n-]n2)c1 ZINC000732157881 1075640202 /nfs/dbraw/zinc/64/02/02/1075640202.db2.gz KAYRAUMIEHJLIE-UHFFFAOYSA-N -1 1 403.420 1.296 20 0 HDADMM O=C(NCCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O)c1cncc([O-])c1 ZINC000732258337 1075689437 /nfs/dbraw/zinc/68/94/37/1075689437.db2.gz KIYDGORCTHXQJY-OMCISZLKSA-N -1 1 413.411 1.982 20 0 HDADMM Cn1cnnc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000463448547 1075725198 /nfs/dbraw/zinc/72/51/98/1075725198.db2.gz HBOSYBFAPMQBRB-UHFFFAOYSA-N -1 1 415.431 1.639 20 0 HDADMM Cc1onc(N)c1S(=O)(=O)[N-]CCC(=O)Nc1cc(Br)ccc1C ZINC000570368005 1075727153 /nfs/dbraw/zinc/72/71/53/1075727153.db2.gz PUQVNZHRTHHYDO-UHFFFAOYSA-N -1 1 417.285 1.943 20 0 HDADMM CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000766153284 1075743381 /nfs/dbraw/zinc/74/33/81/1075743381.db2.gz XUUHWEYQBYRCEQ-QLJPJBMISA-N -1 1 401.489 1.620 20 0 HDADMM CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000766153284 1075743384 /nfs/dbraw/zinc/74/33/84/1075743384.db2.gz XUUHWEYQBYRCEQ-QLJPJBMISA-N -1 1 401.489 1.620 20 0 HDADMM Nc1noc(CCNC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)n1 ZINC000480121764 1075755420 /nfs/dbraw/zinc/75/54/20/1075755420.db2.gz VVTSVADRDUYQNP-UHFFFAOYSA-N -1 1 419.438 1.493 20 0 HDADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCCc3nnc(N)o3)c2)cc1 ZINC000530490426 1075756232 /nfs/dbraw/zinc/75/62/32/1075756232.db2.gz LAEIROOYIGRWBD-UHFFFAOYSA-N -1 1 401.448 1.734 20 0 HDADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@@H](O)[C@H](C)O)cc2)cc1 ZINC001168763249 1075783741 /nfs/dbraw/zinc/78/37/41/1075783741.db2.gz CAEFZQJMKGQCEU-SCLBCKFNSA-N -1 1 408.476 1.358 20 0 HDADMM NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000016725954 1075793215 /nfs/dbraw/zinc/79/32/15/1075793215.db2.gz SBXYWKHAVVMBHH-UHFFFAOYSA-N -1 1 409.489 1.371 20 0 HDADMM CCNC(=O)OC[C@@H]1CCCCN1C(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000804241419 1075798750 /nfs/dbraw/zinc/79/87/50/1075798750.db2.gz ZUAANTPDRYGRPG-INIZCTEOSA-N -1 1 413.478 1.810 20 0 HDADMM CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)[N-]c3cnc4c(c3)c(C)nn4C)ccc2O1 ZINC000611027969 1075813854 /nfs/dbraw/zinc/81/38/54/1075813854.db2.gz ZJEWAEDUJGSNNG-QGZVFWFLSA-N -1 1 416.459 1.944 20 0 HDADMM C[C@@H]1CN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)c2)C[C@@H]1O ZINC000509277280 1075816921 /nfs/dbraw/zinc/81/69/21/1075816921.db2.gz BCHFANZXHYQKSE-DYVFJYSZSA-N -1 1 418.471 1.711 20 0 HDADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@]3(CO)CCOC3)cc2)cc1C ZINC000543602839 1075826904 /nfs/dbraw/zinc/82/69/04/1075826904.db2.gz QTHATWQEDHNXJK-HXUWFJFHSA-N -1 1 404.488 1.985 20 0 HDADMM O=C(N[C@@]1(CO)CCOC1)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC000543604370 1075833880 /nfs/dbraw/zinc/83/38/80/1075833880.db2.gz RUORNLZGBNQYKL-LJQANCHMSA-N -1 1 420.443 1.097 20 0 HDADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@]3(CO)CCOC3)cc2)cc1 ZINC000543603878 1075836822 /nfs/dbraw/zinc/83/68/22/1075836822.db2.gz XRKMZXNNIYZWPV-LJQANCHMSA-N -1 1 406.460 1.377 20 0 HDADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](N3CCCCC3=O)C2)o1 ZINC000732772594 1075851829 /nfs/dbraw/zinc/85/18/29/1075851829.db2.gz NRQWYWSMPOFGIX-AWEZNQCLSA-N -1 1 411.524 1.974 20 0 HDADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732788872 1075857885 /nfs/dbraw/zinc/85/78/85/1075857885.db2.gz UZRCIKUPIDYBPI-AWEZNQCLSA-N -1 1 423.395 1.717 20 0 HDADMM CN1C(=O)CC[C@H]1C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000501266918 1075881174 /nfs/dbraw/zinc/88/11/74/1075881174.db2.gz YUEIZUYJSPKPKD-KRWDZBQOSA-N -1 1 405.451 1.864 20 0 HDADMM CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)[N-]c3cnc4c(c3)COCC4)ccc2O1 ZINC000611466514 1075942141 /nfs/dbraw/zinc/94/21/41/1075942141.db2.gz UQKUFQHHTXQKLX-GOSISDBHSA-N -1 1 404.444 1.822 20 0 HDADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)NC[C@H](O)[C@@H](C)O)c([O-])c2)c1 ZINC001168766316 1075944275 /nfs/dbraw/zinc/94/42/75/1075944275.db2.gz USDMVOJAFKUNCH-ZMZPIMSZSA-N -1 1 404.419 1.133 20 0 HDADMM CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCn1cc[n-]c(=O)c1=O ZINC000733142318 1075974693 /nfs/dbraw/zinc/97/46/93/1075974693.db2.gz ACPYEHPAZXWQEG-JKSUJKDBSA-N -1 1 420.510 1.707 20 0 HDADMM CCn1cc(S(=O)(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)cc1C(=O)[O-] ZINC000507594822 1075978690 /nfs/dbraw/zinc/97/86/90/1075978690.db2.gz FIHAUEVFEZHBDK-UHFFFAOYSA-N -1 1 419.456 1.396 20 0 HDADMM COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc1 ZINC000733360416 1076052555 /nfs/dbraw/zinc/05/25/55/1076052555.db2.gz JTZJLRZQNCLIRK-UHFFFAOYSA-N -1 1 415.431 1.721 20 0 HDADMM COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cc1 ZINC000733360416 1076052559 /nfs/dbraw/zinc/05/25/59/1076052559.db2.gz JTZJLRZQNCLIRK-UHFFFAOYSA-N -1 1 415.431 1.721 20 0 HDADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OCc3nnnn3C)c2)cc1 ZINC000733384287 1076064377 /nfs/dbraw/zinc/06/43/77/1076064377.db2.gz ANPBTMPWXBIFFT-UHFFFAOYSA-N -1 1 403.420 1.377 20 0 HDADMM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1cc(S(N)(=O)=O)ccc1F ZINC000727358925 1076098149 /nfs/dbraw/zinc/09/81/49/1076098149.db2.gz ZMLXHYCTCZZMRV-UHFFFAOYSA-N -1 1 406.388 1.200 20 0 HDADMM CN(CC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])C(=O)OC(C)(C)C ZINC000727765399 1076218663 /nfs/dbraw/zinc/21/86/63/1076218663.db2.gz AHSMXNFJYRPWCX-UHFFFAOYSA-N -1 1 413.496 1.982 20 0 HDADMM CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(CS(N)(=O)=O)c2)cc1 ZINC000727797767 1076257567 /nfs/dbraw/zinc/25/75/67/1076257567.db2.gz WNOZKHFDQMDHLU-UHFFFAOYSA-N -1 1 412.489 1.843 20 0 HDADMM COc1cc(NC(=O)CCn2cc[n-]c(=O)c2=O)ccc1NC(=O)c1cccnc1 ZINC000727849197 1076270834 /nfs/dbraw/zinc/27/08/34/1076270834.db2.gz BOTKGOQYVFDHHX-UHFFFAOYSA-N -1 1 409.402 1.221 20 0 HDADMM COc1ccc(NC(=O)CCn2cc[n-]c(=O)c2=O)cc1NC(=O)OC(C)(C)C ZINC000727850442 1076271140 /nfs/dbraw/zinc/27/11/40/1076271140.db2.gz YWBGOCMWDFYZHF-UHFFFAOYSA-N -1 1 404.423 1.921 20 0 HDADMM COc1cc(NC(=O)CCn2cc[n-]c(=O)c2=O)ccc1NC(=O)OC(C)(C)C ZINC000727852433 1076271806 /nfs/dbraw/zinc/27/18/06/1076271806.db2.gz VMRFZUTYQASXNC-UHFFFAOYSA-N -1 1 404.423 1.921 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)NCc1cccc(C(=O)OCc2ccccc2)c1 ZINC000727856757 1076273760 /nfs/dbraw/zinc/27/37/60/1076273760.db2.gz GMXNZUYDPFTBJI-UHFFFAOYSA-N -1 1 407.426 1.600 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)CCC(=O)N1CCOc2ccccc21 ZINC000733983639 1076282905 /nfs/dbraw/zinc/28/29/05/1076282905.db2.gz QOKIQZPKROQNFV-UHFFFAOYSA-N -1 1 409.446 1.874 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)CN1C(=S)N=NC1c1cccs1 ZINC000733983298 1076282974 /nfs/dbraw/zinc/28/29/74/1076282974.db2.gz MCYKJYFITDCSSN-UHFFFAOYSA-N -1 1 415.504 1.977 20 0 HDADMM C[C@H](CN1CCN(C)CC1)NC(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O ZINC000730228362 1076486316 /nfs/dbraw/zinc/48/63/16/1076486316.db2.gz SIMVBGQZUVKCCO-OAHLLOKOSA-N -1 1 404.536 1.577 20 0 HDADMM CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)OCC(=O)[N-]C(=O)c1ccc(OC)cc1 ZINC000730325632 1076541180 /nfs/dbraw/zinc/54/11/80/1076541180.db2.gz OFNNCBFAQFRHST-VGEAAAHDSA-N -1 1 420.487 1.753 20 0 HDADMM CN(CCCNC(=O)COC(=O)c1ccc(Cl)c(Cl)c1[O-])S(C)(=O)=O ZINC000730360099 1076550495 /nfs/dbraw/zinc/55/04/95/1076550495.db2.gz QFNWXSXGPVIADH-UHFFFAOYSA-N -1 1 413.279 1.254 20 0 HDADMM Cc1cccc(N2C(=O)N[C@@H](CCC(=O)N[C@@H](c3nn[n-]n3)c3ccccc3)C2=O)c1 ZINC000730833173 1076674278 /nfs/dbraw/zinc/67/42/78/1076674278.db2.gz UVLFOHFYPUUTFZ-FUHWJXTLSA-N -1 1 419.445 1.619 20 0 HDADMM COC(=O)[C@](C)([N-]S(=O)(=O)c1cnn(C)c1)c1cccc(Br)c1 ZINC000731040869 1076716671 /nfs/dbraw/zinc/71/66/71/1076716671.db2.gz OVDJLLZKLFMTDO-CQSZACIVSA-N -1 1 402.270 1.549 20 0 HDADMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)c(S(N)(=O)=O)c2)c1 ZINC000028198351 1073606853 /nfs/dbraw/zinc/60/68/53/1073606853.db2.gz AVUCPRSPWKKUIE-UHFFFAOYSA-N -1 1 414.461 1.238 20 0 HDADMM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C1 ZINC000673681428 1073634375 /nfs/dbraw/zinc/63/43/75/1073634375.db2.gz FYQXYHVCYKIOCB-SMDDNHRTSA-N -1 1 409.439 1.406 20 0 HDADMM COc1ccc(NC(=O)N2CCC(C(=O)N3CCCC3)CC2)cc1[N-]S(C)(=O)=O ZINC000673860556 1073828511 /nfs/dbraw/zinc/82/85/11/1073828511.db2.gz SPZSWEPZSHFGMO-UHFFFAOYSA-N -1 1 424.523 1.933 20 0 HDADMM O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000673883370 1073855064 /nfs/dbraw/zinc/85/50/64/1073855064.db2.gz HHKXLNPTXDLUSA-LJQANCHMSA-N -1 1 415.490 1.776 20 0 HDADMM O=C(N[C@H]1CCN(C2CCOCC2)C1=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000673883369 1073855094 /nfs/dbraw/zinc/85/50/94/1073855094.db2.gz HHKXLNPTXDLUSA-IBGZPJMESA-N -1 1 415.490 1.776 20 0 HDADMM COc1ccc(C(=O)NCc2c[nH]nn2)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000673951446 1073925604 /nfs/dbraw/zinc/92/56/04/1073925604.db2.gz NKNDCXIFKPZPJW-UHFFFAOYSA-N -1 1 401.448 1.853 20 0 HDADMM COc1cc(NC(=O)C(=O)N2CCC[C@]2(C)CCCO)ccc1[N-]S(C)(=O)=O ZINC000543528716 1074017727 /nfs/dbraw/zinc/01/77/27/1074017727.db2.gz LAUBJNBMHSJFER-GOSISDBHSA-N -1 1 413.496 1.159 20 0 HDADMM Cc1ccc(F)cc1-c1nnc([N-]C(=O)c2cc3n(n2)CCN(C)S3(=O)=O)s1 ZINC001128646080 1074201978 /nfs/dbraw/zinc/20/19/78/1074201978.db2.gz YRRHEEWWYKOYQY-UHFFFAOYSA-N -1 1 422.467 1.736 20 0 HDADMM CSc1cccc(S(=O)(=O)[N-]c2ccnc(C(=O)N3CCN(C)CC3)c2)c1 ZINC000509222071 1074245918 /nfs/dbraw/zinc/24/59/18/1074245918.db2.gz GDHIFXJOMPGKPP-UHFFFAOYSA-N -1 1 406.533 1.414 20 0 HDADMM CN1C(=O)N[C@]2(CCC[C@@H]2C[N-]S(=O)(=O)c2sccc2Br)C1=O ZINC000674419355 1074320150 /nfs/dbraw/zinc/32/01/50/1074320150.db2.gz CDSQDSQMLTVNLH-OQPBUACISA-N -1 1 422.326 1.509 20 0 HDADMM CCc1ccccc1-n1cc([O-])c(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)n1 ZINC000674604501 1074481105 /nfs/dbraw/zinc/48/11/05/1074481105.db2.gz LVMHOLGDRGMYGJ-GOSISDBHSA-N -1 1 413.522 1.277 20 0 HDADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCOC[C@H]2C2CC2)o1 ZINC000766082539 1074619316 /nfs/dbraw/zinc/61/93/16/1074619316.db2.gz YICHXOCSYSHOLK-ZDUSSCGKSA-N -1 1 414.480 1.151 20 0 HDADMM Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]c1nc2cc(Br)ccn2n1 ZINC001129013924 1075176909 /nfs/dbraw/zinc/17/69/09/1075176909.db2.gz CVQRHJHKCXSSLB-UHFFFAOYSA-N -1 1 403.196 1.892 20 0 HDADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(CCc3ccccc3)n[nH]2)c1 ZINC000675546610 1075205944 /nfs/dbraw/zinc/20/59/44/1075205944.db2.gz ILKKYWRGDASEDP-UHFFFAOYSA-N -1 1 420.516 1.904 20 0 HDADMM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)S(=O)(=O)CC3)cc1 ZINC000675629049 1075243554 /nfs/dbraw/zinc/24/35/54/1075243554.db2.gz BBVIHBFIXBGVSY-UHFFFAOYSA-N -1 1 408.501 1.496 20 0 HDADMM O=C(NCC1(CO)CC1)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000675612728 1075245540 /nfs/dbraw/zinc/24/55/40/1075245540.db2.gz XYJHIGMHJAOFBU-UHFFFAOYSA-N -1 1 418.471 1.761 20 0 HDADMM COCc1cccc(CNC(=O)COC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000731447311 1075344183 /nfs/dbraw/zinc/34/41/83/1075344183.db2.gz VMGPYOADKJTMEF-UHFFFAOYSA-N -1 1 412.446 1.600 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCC(=O)N[C@@H]1CCOc2ccccc21 ZINC000731448161 1075344505 /nfs/dbraw/zinc/34/45/05/1075344505.db2.gz YSJVKWSFBVQOBZ-MRXNPFEDSA-N -1 1 410.430 1.777 20 0 HDADMM COc1cccc(CNC(=O)[C@H](C)OC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000731448037 1075345108 /nfs/dbraw/zinc/34/51/08/1075345108.db2.gz UQLQPWPJLGLEFT-AWEZNQCLSA-N -1 1 412.446 1.851 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCCNS(=O)(=O)c1ccccc1 ZINC000731447526 1075345448 /nfs/dbraw/zinc/34/54/48/1075345448.db2.gz XQBYAXZVJBDMNF-UHFFFAOYSA-N -1 1 404.448 1.116 20 0 HDADMM COc1cccc(C([O-])=C2[C@H](c3csnn3)NC(=S)N[C@@]2(O)C(F)(F)F)c1 ZINC000731427712 1075348176 /nfs/dbraw/zinc/34/81/76/1075348176.db2.gz QOACDXWPDVSLNZ-MJVIPROJSA-N -1 1 418.422 1.816 20 0 HDADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3(C(N)=O)CC3)cc2)cc1 ZINC000676182959 1075424069 /nfs/dbraw/zinc/42/40/69/1075424069.db2.gz KFRSIZCEEHCOPR-UHFFFAOYSA-N -1 1 401.444 1.438 20 0 HDADMM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)nc2C)cc1NC(C)=O ZINC000676235663 1075440559 /nfs/dbraw/zinc/44/05/59/1075440559.db2.gz GOFVNOFNVDHJGB-UHFFFAOYSA-N -1 1 420.491 1.994 20 0 HDADMM COc1cc(C)c(CN2CCN(C(=O)CNC3(C(=O)[O-])CCCC3)CC2)cc1OC ZINC000676230375 1075449026 /nfs/dbraw/zinc/44/90/26/1075449026.db2.gz CRCSGTRGCRUCBS-UHFFFAOYSA-N -1 1 419.522 1.643 20 0 HDADMM C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@@H]1CN(C)CCO1 ZINC000676257435 1075453357 /nfs/dbraw/zinc/45/33/57/1075453357.db2.gz VAACVLRDLBNELV-BEFAXECRSA-N -1 1 403.504 1.936 20 0 HDADMM NC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)cc1 ZINC000026233625 1075473336 /nfs/dbraw/zinc/47/33/36/1075473336.db2.gz BSPDTSNPQBHEDB-UHFFFAOYSA-N -1 1 410.477 1.419 20 0 HDADMM C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])[C@@H]1CN(C)CCO1 ZINC000676348683 1075520470 /nfs/dbraw/zinc/52/04/70/1075520470.db2.gz RAHASIPGDMQFNU-BEVDRBHNSA-N -1 1 411.502 1.985 20 0 HDADMM COC(=O)CN1CCN(c2ccc([N-]S(=O)(=O)c3ccc(Cl)nc3)cc2)CC1 ZINC000731784677 1075524883 /nfs/dbraw/zinc/52/48/83/1075524883.db2.gz CUOYXELJYWHGOG-UHFFFAOYSA-N -1 1 424.910 1.831 20 0 HDADMM O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000731854710 1075536320 /nfs/dbraw/zinc/53/63/20/1075536320.db2.gz AZAWHAJWINNEBS-ZDUSSCGKSA-N -1 1 403.830 1.826 20 0 HDADMM Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CCO[C@@H](c4nn[n-]n4)C3)c12 ZINC000731854742 1075536412 /nfs/dbraw/zinc/53/64/12/1075536412.db2.gz CDZPUGKFUKKFRZ-MRXNPFEDSA-N -1 1 404.434 1.671 20 0 HDADMM Cc1noc(C)c1CSc1ncccc1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000731855658 1075536642 /nfs/dbraw/zinc/53/66/42/1075536642.db2.gz YXFCYDSXJLKTNI-CQSZACIVSA-N -1 1 401.452 1.706 20 0 HDADMM O=C(c1cccc2ccccc21)N1CCC(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)CC1 ZINC000731855535 1075537046 /nfs/dbraw/zinc/53/70/46/1075537046.db2.gz ROUMEGSRKOWRNG-IBGZPJMESA-N -1 1 420.473 1.805 20 0 HDADMM CCOc1ccc(-c2nc(CC(=O)N3CCO[C@H](c4nn[n-]n4)C3)cs2)cc1 ZINC000731880377 1075551205 /nfs/dbraw/zinc/55/12/05/1075551205.db2.gz LUGABOJISSEBRS-HNNXBMFYSA-N -1 1 400.464 1.865 20 0 HDADMM Cc1ccc2nc(COc3cccc(C(=O)N4CCO[C@@H](c5nn[n-]n5)C4)c3)cn2c1 ZINC000731880763 1075552067 /nfs/dbraw/zinc/55/20/67/1075552067.db2.gz SBXALNGBFFFFGA-GOSISDBHSA-N -1 1 419.445 1.949 20 0 HDADMM C[C@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)C(=O)NCc1nn[n-]n1 ZINC000676551128 1075584212 /nfs/dbraw/zinc/58/42/12/1075584212.db2.gz FPXLNPMEDHSICM-MRVPVSSYSA-N -1 1 409.237 1.567 20 0 HDADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2CN2CCCC2=O)o1 ZINC000732024005 1075589384 /nfs/dbraw/zinc/58/93/84/1075589384.db2.gz DKLABLCFVCCQGR-CQSZACIVSA-N -1 1 411.524 1.974 20 0 HDADMM Cc1cc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)c2cnn(Cc3cccs3)c2n1 ZINC000732092072 1075608860 /nfs/dbraw/zinc/60/88/60/1075608860.db2.gz VUGLSNDCMXOMKU-HNNXBMFYSA-N -1 1 410.463 1.576 20 0 HDADMM COC(=O)[C@H](C[N-]S(=O)(=O)c1c(C)onc1N)Cc1cccc2ccccc21 ZINC000554906460 1075615256 /nfs/dbraw/zinc/61/52/56/1075615256.db2.gz FMQDYABTNZRKJW-HNNXBMFYSA-N -1 1 403.460 2.029 20 0 HDADMM COc1cccc(-n2ccnc2SCC(=O)N2CCO[C@H](c3nn[n-]n3)C2)c1 ZINC000732089756 1075622928 /nfs/dbraw/zinc/62/29/28/1075622928.db2.gz DENUWRJLRNQAAS-AWEZNQCLSA-N -1 1 401.452 1.086 20 0 HDADMM O=C([C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732089446 1075623449 /nfs/dbraw/zinc/62/34/49/1075623449.db2.gz MVRTUJUWOZDYFZ-NOZJJQNGSA-N -1 1 411.249 1.460 20 0 HDADMM CC(=O)N[C@H](CC(=O)N1CCO[C@H](c2nn[n-]n2)C1)c1ccc(Br)cc1 ZINC000732089258 1075623882 /nfs/dbraw/zinc/62/38/82/1075623882.db2.gz DESAKTXZMMTKNW-KGLIPLIRSA-N -1 1 423.271 1.130 20 0 HDADMM O=C(Cc1csc(-c2ccc3c(c2)OCO3)n1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732089302 1075623919 /nfs/dbraw/zinc/62/39/19/1075623919.db2.gz GCJSPEQIXVIQDY-CQSZACIVSA-N -1 1 400.420 1.195 20 0 HDADMM CN(Cc1ccccc1)C(=O)N1CCC(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)CC1 ZINC000732090630 1075624789 /nfs/dbraw/zinc/62/47/89/1075624789.db2.gz LDCRUGJGGIMCEV-KRWDZBQOSA-N -1 1 413.482 1.064 20 0 HDADMM CCOc1ccc(C(=O)CCC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)cc1OCC ZINC000732091825 1075625743 /nfs/dbraw/zinc/62/57/43/1075625743.db2.gz RLGPVDHKPIGJTO-QGZVFWFLSA-N -1 1 403.439 1.560 20 0 HDADMM Cc1nnc(SCC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)n1-c1cc(C)ccc1C ZINC000732091525 1075626549 /nfs/dbraw/zinc/62/65/49/1075626549.db2.gz HIOPQEZRXXPVOD-OAHLLOKOSA-N -1 1 414.495 1.398 20 0 HDADMM C[C@H]1CCCN(C(=O)C2CCN(C(=O)CN3CCC(c4n[nH]c(=O)[n-]4)CC3)CC2)C1 ZINC000676640618 1075630238 /nfs/dbraw/zinc/63/02/38/1075630238.db2.gz SHSVQEAYOGZDOF-HNNXBMFYSA-N -1 1 418.542 1.187 20 0 HDADMM NC(=O)C1(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)CCC1 ZINC000676673824 1075650096 /nfs/dbraw/zinc/65/00/96/1075650096.db2.gz KYVRCOOXPYOPCA-UHFFFAOYSA-N -1 1 409.414 1.903 20 0 HDADMM CSc1nnc(CCC[N-]S(=O)(=O)c2c(C)onc2N)n1C1CCCC1 ZINC000578401874 1075666009 /nfs/dbraw/zinc/66/60/09/1075666009.db2.gz CXDGZZRQBVWFCI-UHFFFAOYSA-N -1 1 400.530 1.905 20 0 HDADMM CS(=O)(=O)[N-]c1ccsc1C(=O)OCc1ccc(NS(C)(=O)=O)cc1 ZINC000732326836 1075704421 /nfs/dbraw/zinc/70/44/21/1075704421.db2.gz FOFWULDYXIFDCL-UHFFFAOYSA-N -1 1 404.491 1.848 20 0 HDADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3nnc(N)o3)cc2)cc1C ZINC000473250630 1075708490 /nfs/dbraw/zinc/70/84/90/1075708490.db2.gz SZTUBASTEIHZRO-UHFFFAOYSA-N -1 1 401.448 1.999 20 0 HDADMM Cc1onc(N)c1S(=O)(=O)[N-]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000565449200 1075728564 /nfs/dbraw/zinc/72/85/64/1075728564.db2.gz FZKAPVKCNBKOLQ-LLVKDONJSA-N -1 1 415.313 2.133 20 0 HDADMM Cc1onc(N)c1S(=O)(=O)[N-]C[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000554892124 1075728618 /nfs/dbraw/zinc/72/86/18/1075728618.db2.gz LPRFLOCWZMAISH-CQSZACIVSA-N -1 1 400.888 1.570 20 0 HDADMM Cc1onc(N)c1S(=O)(=O)[N-]Cc1nc(-c2cccc(Br)c2)no1 ZINC000580545923 1075729561 /nfs/dbraw/zinc/72/95/61/1075729561.db2.gz YVKOHMXGYFBGKH-UHFFFAOYSA-N -1 1 414.241 1.856 20 0 HDADMM Nc1nnc(CCNC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)o1 ZINC000560666602 1075739412 /nfs/dbraw/zinc/73/94/12/1075739412.db2.gz MRHWEYBBDKWPQM-UHFFFAOYSA-N -1 1 421.866 2.079 20 0 HDADMM CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cnc4c(c3)c(C)nn4C)ccc2O1 ZINC000611027968 1075813824 /nfs/dbraw/zinc/81/38/24/1075813824.db2.gz ZJEWAEDUJGSNNG-KRWDZBQOSA-N -1 1 416.459 1.944 20 0 HDADMM CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cnn(-c4ccncc4)c3)ccc2O1 ZINC000611028138 1075814499 /nfs/dbraw/zinc/81/44/99/1075814499.db2.gz LQSYVEGAGSLOTA-SFHVURJKSA-N -1 1 414.443 1.935 20 0 HDADMM C[C@H]1CN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)c2)C[C@H]1O ZINC000509277284 1075816953 /nfs/dbraw/zinc/81/69/53/1075816953.db2.gz BCHFANZXHYQKSE-SUMWQHHRSA-N -1 1 418.471 1.711 20 0 HDADMM O=C(CNC(=O)C1CCCCC1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000017360694 1075822839 /nfs/dbraw/zinc/82/28/39/1075822839.db2.gz UVFPEFXJSWNWLT-UHFFFAOYSA-N -1 1 409.508 1.812 20 0 HDADMM O=C(N[C@]1(CO)CCOC1)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC000543604369 1075833898 /nfs/dbraw/zinc/83/38/98/1075833898.db2.gz RUORNLZGBNQYKL-IBGZPJMESA-N -1 1 420.443 1.097 20 0 HDADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(I)ccc2O)co1 ZINC000611130107 1075847834 /nfs/dbraw/zinc/84/78/34/1075847834.db2.gz KSLIWDSAQIMABP-UHFFFAOYSA-N -1 1 422.200 1.750 20 0 HDADMM O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000017637679 1075894578 /nfs/dbraw/zinc/89/45/78/1075894578.db2.gz WEQXIKSIUZISRL-OAHLLOKOSA-N -1 1 412.464 1.543 20 0 HDADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)c2)cc1 ZINC000017637574 1075894611 /nfs/dbraw/zinc/89/46/11/1075894611.db2.gz NDMPZWTZWGVGNE-MRXNPFEDSA-N -1 1 408.501 1.713 20 0 HDADMM COC(=O)C(C)(C)[C@@H]1CCCN([C@@H]2CC(=O)N(Cc3ccc(C(=O)[O-])cc3)C2=O)C1 ZINC000611304575 1075896191 /nfs/dbraw/zinc/89/61/91/1075896191.db2.gz HWUNTSQRPFRNMC-IAGOWNOFSA-N -1 1 416.474 1.924 20 0 HDADMM Cc1cc([N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)ccc1N1C(=O)CCC1=O ZINC000732951730 1075926935 /nfs/dbraw/zinc/92/69/35/1075926935.db2.gz RXVIBYZLMBMVMU-UHFFFAOYSA-N -1 1 422.484 1.853 20 0 HDADMM COC(=O)[C@H](CNC(=O)CCn1cc[n-]c(=O)c1=O)Cc1cccc2ccccc21 ZINC000733176862 1076007697 /nfs/dbraw/zinc/00/76/97/1076007697.db2.gz GNGBJTMBVBHPKF-KRWDZBQOSA-N -1 1 409.442 1.228 20 0 HDADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)OCc3nnnn3C)ccc2C)cc1 ZINC000733429024 1076067609 /nfs/dbraw/zinc/06/76/09/1076067609.db2.gz DVEZGYGTSJSWPL-UHFFFAOYSA-N -1 1 401.448 1.985 20 0 HDADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)OCc3nnnn3C)ccc2C)c1 ZINC000733429251 1076067674 /nfs/dbraw/zinc/06/76/74/1076067674.db2.gz GBQMGSCEDOZSPR-UHFFFAOYSA-N -1 1 401.448 1.985 20 0 HDADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCCCCCn2nnc(-c3ccccc3)n2)o1 ZINC000733442774 1076077576 /nfs/dbraw/zinc/07/75/76/1076077576.db2.gz UCENUYHBMNRHBJ-UHFFFAOYSA-N -1 1 419.463 1.869 20 0 HDADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2csc(N(CCOC)C(C)=O)n2)o1 ZINC000733820821 1076213940 /nfs/dbraw/zinc/21/39/40/1076213940.db2.gz QYTHKBMVPAROIQ-UHFFFAOYSA-N -1 1 417.465 1.001 20 0 HDADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N1CC(n2cncn2)C1 ZINC000727750250 1076224328 /nfs/dbraw/zinc/22/43/28/1076224328.db2.gz FSFZWILMBBTRHD-UHFFFAOYSA-N -1 1 401.423 1.915 20 0 HDADMM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)[N-][C@H](C(=O)OC)c2cc(F)ccc2F)C1 ZINC000727758212 1076231488 /nfs/dbraw/zinc/23/14/88/1076231488.db2.gz TUHLEZVCIDZKJQ-ABAIWWIYSA-N -1 1 420.434 1.288 20 0 HDADMM CC[S@](=O)CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000733882857 1076238833 /nfs/dbraw/zinc/23/88/33/1076238833.db2.gz QKVAQPGVDCILCA-SANMLTNESA-N -1 1 410.517 1.994 20 0 HDADMM CCn1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)cc1C(=O)[O-] ZINC000533604483 1076244026 /nfs/dbraw/zinc/24/40/26/1076244026.db2.gz SIJDXCCJVHSVLQ-UHFFFAOYSA-N -1 1 415.493 1.694 20 0 HDADMM Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)CCn3cc[n-]c(=O)c3=O)C2)cc1 ZINC000727855300 1076273491 /nfs/dbraw/zinc/27/34/91/1076273491.db2.gz HSZVJHSHASDMNX-MRXNPFEDSA-N -1 1 413.478 1.295 20 0 HDADMM NS(=O)(=O)c1ccc(F)c([N-]S(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)c1 ZINC000728015323 1076303853 /nfs/dbraw/zinc/30/38/53/1076303853.db2.gz NVYOVZVISJTURR-UHFFFAOYSA-N -1 1 419.843 1.422 20 0 HDADMM C[S@](=O)CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000730103059 1076456714 /nfs/dbraw/zinc/45/67/14/1076456714.db2.gz VWFBDUPWTKRNIM-MHZLTWQESA-N -1 1 424.500 1.367 20 0 HDADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000730229480 1076486525 /nfs/dbraw/zinc/48/65/25/1076486525.db2.gz CIJNHXPJJAISHS-HNNXBMFYSA-N -1 1 413.478 1.808 20 0 HDADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)o1 ZINC000730251727 1076497606 /nfs/dbraw/zinc/49/76/06/1076497606.db2.gz JHMUNSIRVXOJAJ-LBPRGKRZSA-N -1 1 401.485 1.565 20 0 HDADMM CCN1CCN(c2ccc(Cl)cc2NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1 ZINC000730522137 1076588103 /nfs/dbraw/zinc/58/81/03/1076588103.db2.gz MZHMCGYQPLTSOI-UHFFFAOYSA-N -1 1 415.885 1.505 20 0 HDADMM Cc1nc(C(=O)NC2(C(=O)[O-])Cc3ccccc3C2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000531742331 939258490 /nfs/dbraw/zinc/25/84/90/939258490.db2.gz WZYHQMWMHYNNPO-UHFFFAOYSA-N -1 1 421.339 1.065 20 0 HDADMM CN1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)NC2(C(=O)[O-])CC2)CC1 ZINC001119574384 939813322 /nfs/dbraw/zinc/81/33/22/939813322.db2.gz YYZYCEVBPKUVBX-UHFFFAOYSA-N -1 1 400.401 1.874 20 0 HDADMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(C)c(S(N)(=O)=O)c3)ccc21 ZINC000015246249 1073540337 /nfs/dbraw/zinc/54/03/37/1073540337.db2.gz JWEHUIKYVAJSSG-UHFFFAOYSA-N -1 1 409.489 1.352 20 0 HDADMM COc1ccc([C@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c2ccccc2)cc1 ZINC000015334445 1073610496 /nfs/dbraw/zinc/61/04/96/1073610496.db2.gz KNOGOABLTQJDEP-GOSISDBHSA-N -1 1 415.471 1.161 20 0 HDADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCCOc1ccc(Cl)cc1 ZINC000014520871 1073901839 /nfs/dbraw/zinc/90/18/39/1073901839.db2.gz VKARVSHZKGQHKX-UHFFFAOYSA-N -1 1 420.897 1.696 20 0 HDADMM CC(C)C[C@@H]([N-]S(=O)(=O)c1cccc2c1OCO2)c1nc(-c2nc[nH]n2)no1 ZINC000509207592 1074115697 /nfs/dbraw/zinc/11/56/97/1074115697.db2.gz BLIFFMQNDJIWGP-SNVBAGLBSA-N -1 1 406.424 1.649 20 0 HDADMM CCC[C@H](NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2)c1nn[n-]n1 ZINC000674376275 1074300615 /nfs/dbraw/zinc/30/06/15/1074300615.db2.gz PXPGAIKYOHSOGG-INIZCTEOSA-N -1 1 406.512 1.405 20 0 HDADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3cc(C(=O)OC)n(C)c3)c2)n1 ZINC000509229254 1074438728 /nfs/dbraw/zinc/43/87/28/1074438728.db2.gz ZUNYSYPKFOXNAS-UHFFFAOYSA-N -1 1 411.418 1.704 20 0 HDADMM O=C([O-])c1cccc(N2C(=O)C[C@H](N3CCN(CCc4cccs4)CC3)C2=O)c1 ZINC000141738041 1074480560 /nfs/dbraw/zinc/48/05/60/1074480560.db2.gz SNINCKNRFJKSQI-SFHVURJKSA-N -1 1 413.499 1.939 20 0 HDADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000042106617 1075145159 /nfs/dbraw/zinc/14/51/59/1075145159.db2.gz FPJGJBMCNBLNQK-MRXNPFEDSA-N -1 1 406.442 1.981 20 0 HDADMM O=C(CNS(=O)(=O)c1cccs1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000675539269 1075196000 /nfs/dbraw/zinc/19/60/00/1075196000.db2.gz CIVCAFDTPLIYQP-UHFFFAOYSA-N -1 1 408.501 1.854 20 0 HDADMM Cc1cccc(C)c1OC[C@H](O)CNC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000675581097 1075211721 /nfs/dbraw/zinc/21/17/21/1075211721.db2.gz XZJOEUGVDMGAMP-GOSISDBHSA-N -1 1 422.485 1.856 20 0 HDADMM NC(=O)c1cc(C(=O)NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c[nH]1 ZINC000675604791 1075221954 /nfs/dbraw/zinc/22/19/54/1075221954.db2.gz FXFICGKDOSFYEO-UHFFFAOYSA-N -1 1 416.434 1.984 20 0 HDADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccn(CC(N)=O)n3)c2)cc1 ZINC000617448554 1075310081 /nfs/dbraw/zinc/31/00/81/1075310081.db2.gz CRLAPXMAXIVSAP-UHFFFAOYSA-N -1 1 413.459 1.730 20 0 HDADMM Cc1nc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000675950164 1075313013 /nfs/dbraw/zinc/31/30/13/1075313013.db2.gz QQQWXMLWJDYUTC-ZETCQYMHSA-N -1 1 415.357 1.720 20 0 HDADMM C[C@@H](C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)S(=O)(=O)C1CCOCC1 ZINC000676035415 1075331602 /nfs/dbraw/zinc/33/16/02/1075331602.db2.gz QMQXFGPVAKHXGK-AWEZNQCLSA-N -1 1 409.504 1.796 20 0 HDADMM CC(C)N1C(=S)N=NC1CCNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000731443121 1075338855 /nfs/dbraw/zinc/33/88/55/1075338855.db2.gz JXJCFSPEQPDXBD-UHFFFAOYSA-N -1 1 415.541 1.790 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCC(=O)NC(=O)N[C@H]1CCCC[C@H]1C ZINC000731447783 1075345460 /nfs/dbraw/zinc/34/54/60/1075345460.db2.gz LCITXLSOLXBYTC-ABAIWWIYSA-N -1 1 417.466 1.542 20 0 HDADMM COCc1ccc(CNC(=O)COC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000731447597 1075345492 /nfs/dbraw/zinc/34/54/92/1075345492.db2.gz JRRNYIYRQXDJTK-UHFFFAOYSA-N -1 1 412.446 1.600 20 0 HDADMM COc1cccc(CN(C)C(=O)COC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000731448485 1075345973 /nfs/dbraw/zinc/34/59/73/1075345973.db2.gz RBIASOWIGGABIG-UHFFFAOYSA-N -1 1 412.446 1.805 20 0 HDADMM COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2cccc(NC(=O)C(N)=O)c2)c1 ZINC000509382641 1075361600 /nfs/dbraw/zinc/36/16/00/1075361600.db2.gz DQBKXAXVUUNGOF-UHFFFAOYSA-N -1 1 405.432 1.315 20 0 HDADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCC(=O)c2cc(OC)c(OC)cc2Cl)o1 ZINC000731512033 1075379989 /nfs/dbraw/zinc/37/99/89/1075379989.db2.gz RCVBTHZFAGQIFG-UHFFFAOYSA-N -1 1 417.823 1.898 20 0 HDADMM Cc1nnnn1-c1cccc([N-]S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)c1 ZINC000543657205 1075387265 /nfs/dbraw/zinc/38/72/65/1075387265.db2.gz IGLXQDSNYWADTJ-UHFFFAOYSA-N -1 1 424.486 1.997 20 0 HDADMM CSc1nc(C)c(CCC(=O)N2CCC(C3N=NC(=S)N3C)CC2)c(=O)[n-]1 ZINC000731634224 1075410847 /nfs/dbraw/zinc/41/08/47/1075410847.db2.gz DCGLCKSEPJHLCL-UHFFFAOYSA-N -1 1 408.553 1.969 20 0 HDADMM C[NH+](C)CCN(CC(=O)[O-])C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000676206403 1075428729 /nfs/dbraw/zinc/42/87/29/1075428729.db2.gz SXEOGKNBHDHLRX-UHFFFAOYSA-N -1 1 423.466 1.715 20 0 HDADMM O=C([O-])C[C@H]1CCCN(CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)C1 ZINC000676232634 1075450013 /nfs/dbraw/zinc/45/00/13/1075450013.db2.gz GDNVYYRLFBSRPC-OAHLLOKOSA-N -1 1 409.508 1.596 20 0 HDADMM C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])[C@@H]1CN(C)CCO1 ZINC000676348688 1075520995 /nfs/dbraw/zinc/52/09/95/1075520995.db2.gz RAHASIPGDMQFNU-YSSFQJQWSA-N -1 1 411.502 1.985 20 0 HDADMM O=C(c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000731854816 1075536581 /nfs/dbraw/zinc/53/65/81/1075536581.db2.gz GMLUPJSRBIMOLH-QGZVFWFLSA-N -1 1 418.413 1.210 20 0 HDADMM CS(=O)(=O)CCN1CCC(NC(=O)c2cc(Br)ccc2[O-])CC1 ZINC000731838875 1075545739 /nfs/dbraw/zinc/54/57/39/1075545739.db2.gz NOXKUZNQHGIMMT-UHFFFAOYSA-N -1 1 405.314 1.394 20 0 HDADMM O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000731880624 1075550912 /nfs/dbraw/zinc/55/09/12/1075550912.db2.gz RVGXIRLTHSXPNB-INIZCTEOSA-N -1 1 402.418 1.661 20 0 HDADMM Cc1ccc(OCc2nc(CC(=O)N3CCO[C@H](c4nn[n-]n4)C3)cs2)cc1 ZINC000731880513 1075551347 /nfs/dbraw/zinc/55/13/47/1075551347.db2.gz ORIBOMSESJUOMU-HNNXBMFYSA-N -1 1 400.464 1.686 20 0 HDADMM CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000731880174 1075551617 /nfs/dbraw/zinc/55/16/17/1075551617.db2.gz IDYAVXSJFJPNRK-QGZVFWFLSA-N -1 1 404.434 1.845 20 0 HDADMM COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cc(=O)[nH][n-]3)ccc2OC)cc1 ZINC000731867394 1075559363 /nfs/dbraw/zinc/55/93/63/1075559363.db2.gz IVIDMBRPOKEUDS-UHFFFAOYSA-N -1 1 418.431 1.319 20 0 HDADMM COc1ccc(C(=O)N[C@@H](C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)c2ccccc2)cc1 ZINC000732088900 1075621402 /nfs/dbraw/zinc/62/14/02/1075621402.db2.gz HQCMSZMUICOHPI-QZTJIDSGSA-N -1 1 422.445 1.280 20 0 HDADMM Cc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)N2CCO[C@H](c3nn[n-]n3)C2)cc1 ZINC000732089497 1075623003 /nfs/dbraw/zinc/62/30/03/1075623003.db2.gz NQASPRRNSFSUNU-IRXDYDNUSA-N -1 1 415.498 1.322 20 0 HDADMM CCn1c(SCC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)nnc1-c1cccc(C)c1 ZINC000732089240 1075623459 /nfs/dbraw/zinc/62/34/59/1075623459.db2.gz MBUMBDCZSRWLKN-CQSZACIVSA-N -1 1 414.495 1.479 20 0 HDADMM CC(=O)N[C@@H](CC(=O)N1CCO[C@@H](c2nn[n-]n2)C1)c1ccc(Br)cc1 ZINC000732089259 1075623931 /nfs/dbraw/zinc/62/39/31/1075623931.db2.gz DESAKTXZMMTKNW-UONOGXRCSA-N -1 1 423.271 1.130 20 0 HDADMM O=C(Cc1csc(-c2ccc3c(c2)OCO3)n1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732089301 1075623953 /nfs/dbraw/zinc/62/39/53/1075623953.db2.gz GCJSPEQIXVIQDY-AWEZNQCLSA-N -1 1 400.420 1.195 20 0 HDADMM O=C(c1cc(F)ccc1I)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732090866 1075624308 /nfs/dbraw/zinc/62/43/08/1075624308.db2.gz OTHVGTBYTGIYCI-SNVBAGLBSA-N -1 1 403.155 1.157 20 0 HDADMM O=C(c1cn(Cc2ccccc2)nc1-c1cccnc1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732090634 1075624813 /nfs/dbraw/zinc/62/48/13/1075624813.db2.gz LELXLGKQEWRYLS-GOSISDBHSA-N -1 1 416.445 1.720 20 0 HDADMM O=C(c1nnn(-c2ccc(F)cc2)c1C(F)(F)F)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732090405 1075625202 /nfs/dbraw/zinc/62/52/02/1075625202.db2.gz IUZNPUMSXHMLSG-SNVBAGLBSA-N -1 1 412.307 1.152 20 0 HDADMM O=C(Nc1cccc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)c1)[C@@H]1Cc2ccccc2O1 ZINC000732090408 1075625222 /nfs/dbraw/zinc/62/52/22/1075625222.db2.gz VXFRVZOHXUPHEZ-ZWKOTPCHSA-N -1 1 420.429 1.356 20 0 HDADMM O=C(c1ccccc1OCc1cn2ccccc2n1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732091535 1075626502 /nfs/dbraw/zinc/62/65/02/1075626502.db2.gz HNYAAMBQQQXBEA-QGZVFWFLSA-N -1 1 405.418 1.640 20 0 HDADMM O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732091647 1075626640 /nfs/dbraw/zinc/62/66/40/1075626640.db2.gz LYHCYLWARYDSCH-AWEZNQCLSA-N -1 1 423.458 1.238 20 0 HDADMM O=C(OCc1ccccc1)N1CCCC[C@@H]1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732091494 1075627096 /nfs/dbraw/zinc/62/70/96/1075627096.db2.gz GPRJPMSKJPOHHC-CVEARBPZSA-N -1 1 400.439 1.291 20 0 HDADMM CCn1c(SCC(=O)N2CCO[C@H](c3nn[n-]n3)C2)nnc1-c1cccs1 ZINC000732091201 1075627554 /nfs/dbraw/zinc/62/75/54/1075627554.db2.gz VDIFNNPISCUEMI-JTQLQIEISA-N -1 1 406.497 1.232 20 0 HDADMM CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2nn[n-]n2)c1 ZINC000732157958 1075640020 /nfs/dbraw/zinc/64/00/20/1075640020.db2.gz MTKUXKCOEUQXCQ-UHFFFAOYSA-N -1 1 420.882 1.604 20 0 HDADMM CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2nn[n-]n2)c1 ZINC000732158038 1075641385 /nfs/dbraw/zinc/64/13/85/1075641385.db2.gz QKVBHRWGBIODPP-UHFFFAOYSA-N -1 1 420.882 1.998 20 0 HDADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3(C(N)=O)CCC3)cc2)cc1 ZINC000676674083 1075649725 /nfs/dbraw/zinc/64/97/25/1075649725.db2.gz RQCUBLZFNLNJEM-UHFFFAOYSA-N -1 1 415.471 1.828 20 0 HDADMM COc1cc(C=O)cc(I)c1OS(=O)(=O)c1c[n-]nc1C ZINC000732215295 1075671048 /nfs/dbraw/zinc/67/10/48/1075671048.db2.gz LEMKSPALVQUNOU-UHFFFAOYSA-N -1 1 422.200 1.912 20 0 HDADMM Cc1n[nH]cc1S(=O)(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000732219681 1075672928 /nfs/dbraw/zinc/67/29/28/1075672928.db2.gz BRXVLRHOVTUGRW-UHFFFAOYSA-N -1 1 406.489 1.997 20 0 HDADMM CCN1CCC(N(C)S(=O)(=O)c2ccc(N3C[C@H](C(=O)[O-])CC3=O)cc2)CC1 ZINC000506247940 1075674062 /nfs/dbraw/zinc/67/40/62/1075674062.db2.gz HRTKVIKHLCKXIY-CQSZACIVSA-N -1 1 409.508 1.229 20 0 HDADMM CCN1CCC(N(C)S(=O)(=O)c2ccc(N3C[C@@H](C(=O)[O-])CC3=O)cc2)CC1 ZINC000506247939 1075674089 /nfs/dbraw/zinc/67/40/89/1075674089.db2.gz HRTKVIKHLCKXIY-AWEZNQCLSA-N -1 1 409.508 1.229 20 0 HDADMM Cn1cc(N2CC[C@H](OC(=O)c3ccc(S(=O)(=O)[N-]C(C)(C)C)o3)C2=O)cn1 ZINC000732328161 1075704661 /nfs/dbraw/zinc/70/46/61/1075704661.db2.gz PORCYRMMJNENJI-LBPRGKRZSA-N -1 1 410.452 1.052 20 0 HDADMM Nc1nc(CN2CCN(C(=O)c3nc4ccccc4c(=O)[n-]3)CC2)nc2ccccc12 ZINC000497738247 1075730232 /nfs/dbraw/zinc/73/02/32/1075730232.db2.gz CWASVILMJZNEKD-UHFFFAOYSA-N -1 1 415.457 1.407 20 0 HDADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCCc3nc(N)no3)c2)cc1 ZINC000461541468 1075756296 /nfs/dbraw/zinc/75/62/96/1075756296.db2.gz DXOJKIPGLCHAQQ-UHFFFAOYSA-N -1 1 401.448 1.734 20 0 HDADMM Nc1noc(CCNC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)n1 ZINC000478871721 1075760068 /nfs/dbraw/zinc/76/00/68/1075760068.db2.gz UVLHTVNSCDMDJG-UHFFFAOYSA-N -1 1 405.411 1.564 20 0 HDADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000138336817 1075785169 /nfs/dbraw/zinc/78/51/69/1075785169.db2.gz SNDMIIUOYPYKKQ-HNNXBMFYSA-N -1 1 417.487 1.834 20 0 HDADMM Cc1csc(=O)n1CCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000016495684 1075789514 /nfs/dbraw/zinc/78/95/14/1075789514.db2.gz KURPEZROCCPTHV-UHFFFAOYSA-N -1 1 411.505 1.737 20 0 HDADMM C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732767053 1075849276 /nfs/dbraw/zinc/84/92/76/1075849276.db2.gz SGMFMKIEQQQRFM-XZKMEQPCSA-N -1 1 424.505 1.884 20 0 HDADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](N3CCCCC3=O)C2)o1 ZINC000732772595 1075851787 /nfs/dbraw/zinc/85/17/87/1075851787.db2.gz NRQWYWSMPOFGIX-CQSZACIVSA-N -1 1 411.524 1.974 20 0 HDADMM CSCC[C@H](C(=O)N1CCC[C@H](c2nn[n-]n2)C1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000611404180 1075925984 /nfs/dbraw/zinc/92/59/84/1075925984.db2.gz ICDHPLIELNQMPH-ZQDZILKHSA-N -1 1 420.539 1.203 20 0 HDADMM CSCC[C@H](C(=O)N1CCC[C@H](c2nn[n-]n2)C1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000611404179 1075926082 /nfs/dbraw/zinc/92/60/82/1075926082.db2.gz ICDHPLIELNQMPH-GBJTYRQASA-N -1 1 420.539 1.203 20 0 HDADMM CC(=O)NCc1ccc([N-]S(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)cc1 ZINC000733122859 1075977601 /nfs/dbraw/zinc/97/76/01/1075977601.db2.gz DMUXFRJRTKQADB-UHFFFAOYSA-N -1 1 400.453 1.666 20 0 HDADMM Cc1nc(CCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2[O-])cs1 ZINC000733357343 1076051263 /nfs/dbraw/zinc/05/12/63/1076051263.db2.gz BKTXQZJTTNJHOG-UHFFFAOYSA-N -1 1 411.505 1.749 20 0 HDADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2csc(CC(=O)OC(C)C)n2)o1 ZINC000733442058 1076077219 /nfs/dbraw/zinc/07/72/19/1076077219.db2.gz IKLDDWRFQZHYAB-UHFFFAOYSA-N -1 1 402.450 1.495 20 0 HDADMM Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000733516211 1076086217 /nfs/dbraw/zinc/08/62/17/1076086217.db2.gz OBLXJMXIWUXXOV-QGZVFWFLSA-N -1 1 411.393 1.404 20 0 HDADMM Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000733516537 1076093416 /nfs/dbraw/zinc/09/34/16/1076093416.db2.gz NHEUXXBKHVNWGR-QGZVFWFLSA-N -1 1 411.393 1.404 20 0 HDADMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)OC)c2)cc1 ZINC000727360477 1076098432 /nfs/dbraw/zinc/09/84/32/1076098432.db2.gz DJXXHRGKGYQBQP-UHFFFAOYSA-N -1 1 417.440 1.713 20 0 HDADMM O=C(COC(=O)CNC(=O)NCc1ccc(Cl)cc1)[N-]C(=O)c1ccccc1 ZINC000727546306 1076163098 /nfs/dbraw/zinc/16/30/98/1076163098.db2.gz SLFCOFWYGZBQRC-UHFFFAOYSA-N -1 1 403.822 1.639 20 0 HDADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCCCS(=O)(=O)c2ccc(F)cc2)o1 ZINC000143997726 1076250687 /nfs/dbraw/zinc/25/06/87/1076250687.db2.gz SKDANBXDZKTNRW-UHFFFAOYSA-N -1 1 405.425 1.348 20 0 HDADMM CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OCC(N)=O)c2)cc1 ZINC000727797066 1076257578 /nfs/dbraw/zinc/25/75/78/1076257578.db2.gz KCFQZYRDENTRKZ-UHFFFAOYSA-N -1 1 422.459 1.927 20 0 HDADMM CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)CCn2cc[n-]c(=O)c2=O)cc1 ZINC000727850635 1076271148 /nfs/dbraw/zinc/27/11/48/1076271148.db2.gz XTILALNHBJCRSH-AWEZNQCLSA-N -1 1 401.467 1.678 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000727853056 1076272726 /nfs/dbraw/zinc/27/27/26/1076272726.db2.gz LMVUQALYYZAILF-OAHLLOKOSA-N -1 1 406.280 1.923 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)NC1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000727854231 1076272765 /nfs/dbraw/zinc/27/27/65/1076272765.db2.gz USYBADDQALONGI-UHFFFAOYSA-N -1 1 423.473 1.363 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC000727856768 1076273745 /nfs/dbraw/zinc/27/37/45/1076273745.db2.gz HFNXMKIAKQSHMD-QGZVFWFLSA-N -1 1 416.865 1.555 20 0 HDADMM CN(CCS(C)(=O)=O)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000728028692 1076310866 /nfs/dbraw/zinc/31/08/66/1076310866.db2.gz PREIINNKWVFACW-UHFFFAOYSA-N -1 1 414.480 1.743 20 0 HDADMM O=C(CSc1nnnn1C1CCOCC1)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000729937365 1076396385 /nfs/dbraw/zinc/39/63/85/1076396385.db2.gz ZETXVJNTCSHUCM-UHFFFAOYSA-N -1 1 413.406 1.675 20 0 HDADMM O=C1CCC(=O)N1CCC[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000730016195 1076416441 /nfs/dbraw/zinc/41/64/41/1076416441.db2.gz YUVZDYGFIQRYSA-UHFFFAOYSA-N -1 1 410.677 1.315 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cn1 ZINC000730099080 1076452918 /nfs/dbraw/zinc/45/29/18/1076452918.db2.gz ZVWOQJWNQSXZTO-UHFFFAOYSA-N -1 1 413.821 1.866 20 0 HDADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCC[S@](C)=O)c2)cc1 ZINC000730103746 1076456354 /nfs/dbraw/zinc/45/63/54/1076456354.db2.gz JTADCMFAZHJAFC-SANMLTNESA-N -1 1 410.517 1.994 20 0 HDADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)o1 ZINC000730243686 1076493394 /nfs/dbraw/zinc/49/33/94/1076493394.db2.gz GRWMECBDJPGUBJ-GFCCVEGCSA-N -1 1 415.512 1.953 20 0 HDADMM CCC(=O)N1CSC[C@H]1C(=O)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000730309801 1076525063 /nfs/dbraw/zinc/52/50/63/1076525063.db2.gz SDLKKNHNSMMTLP-LBPRGKRZSA-N -1 1 416.402 1.399 20 0 HDADMM O=C(COC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)[N-]C(=O)c1ccccc1 ZINC000730619538 1076619659 /nfs/dbraw/zinc/61/96/59/1076619659.db2.gz KVDXVFNNJNIQCX-MRXNPFEDSA-N -1 1 424.409 1.311 20 0 HDADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)o1 ZINC000731020083 1076712493 /nfs/dbraw/zinc/71/24/93/1076712493.db2.gz JPSYZZIOGUSJOZ-ZDUSSCGKSA-N -1 1 415.512 1.955 20 0 HDADMM COC(=O)[C@@](C)([N-]S(=O)(=O)c1cn(C)cn1)c1cccc(Br)c1 ZINC000731041362 1076716805 /nfs/dbraw/zinc/71/68/05/1076716805.db2.gz WPGADXJLQLRSLQ-AWEZNQCLSA-N -1 1 402.270 1.549 20 0 HDADMM COC(=O)[C@@](C)([N-]S(=O)(=O)C[C@@H]1CCCO1)c1cccc(Br)c1 ZINC000731041131 1076717318 /nfs/dbraw/zinc/71/73/18/1076717318.db2.gz RWRHFRYVVNKSSN-ZFWWWQNUSA-N -1 1 406.298 1.936 20 0 HDADMM COc1ccc(N[C@H]2CC(=O)N([C@@H](C)c3cccnc3)C2=O)cc1[N-]S(C)(=O)=O ZINC000731219569 1076767228 /nfs/dbraw/zinc/76/72/28/1076767228.db2.gz ZDOMRBIGZODNIG-LRDDRELGSA-N -1 1 418.475 1.762 20 0 HDADMM CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(N)=O)c2)c1 ZINC000509090360 1073504311 /nfs/dbraw/zinc/50/43/11/1073504311.db2.gz RWDAOROUIUGTBX-UHFFFAOYSA-N -1 1 411.505 1.617 20 0 HDADMM CCOC(=O)C1CCN(C(=O)c2ccc([N-]S(=O)(=O)C[C@H](C)OC)cc2)CC1 ZINC000509089337 1073506216 /nfs/dbraw/zinc/50/62/16/1073506216.db2.gz JHVUVBYXOKCPRY-AWEZNQCLSA-N -1 1 412.508 1.879 20 0 HDADMM CCNc1ccc(S(=O)(=O)N(CC)CC)cc1[N-]S(=O)(=O)C[C@@H](C)OC ZINC000509094085 1073514569 /nfs/dbraw/zinc/51/45/69/1073514569.db2.gz APYRTCINYFYABF-CYBMUJFWSA-N -1 1 407.558 1.926 20 0 HDADMM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C1 ZINC000673681423 1073634203 /nfs/dbraw/zinc/63/42/03/1073634203.db2.gz FYQXYHVCYKIOCB-BXUZGUMPSA-N -1 1 409.439 1.406 20 0 HDADMM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C1 ZINC000673681426 1073634251 /nfs/dbraw/zinc/63/42/51/1073634251.db2.gz FYQXYHVCYKIOCB-RISCZKNCSA-N -1 1 409.439 1.406 20 0 HDADMM C[C@@]1(CNS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CCO[C@H]1C1CC1 ZINC000466552953 1073886639 /nfs/dbraw/zinc/88/66/39/1073886639.db2.gz QZAGRYMIYJAAHK-HOTGVXAUSA-N -1 1 406.501 1.681 20 0 HDADMM NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)Nc3ccc([O-])c(Cl)c3)CC2=O)c1 ZINC000509173391 1073914964 /nfs/dbraw/zinc/91/49/64/1073914964.db2.gz QQJGNBDYZHGMOO-JTQLQIEISA-N -1 1 409.851 1.685 20 0 HDADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCc3nnc[nH]3)cc2)cc1 ZINC000673940838 1073915087 /nfs/dbraw/zinc/91/50/87/1073915087.db2.gz SGTVJGXRCYCSPO-UHFFFAOYSA-N -1 1 413.459 1.781 20 0 HDADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1OCC[C@H]1C ZINC001004868312 1073916220 /nfs/dbraw/zinc/91/62/20/1073916220.db2.gz CBYMLKBUDQXKDO-QVDCYYDOSA-N -1 1 402.495 1.901 20 0 HDADMM Cc1ccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)N3CCOCC3)ccc2F)cn1 ZINC000509224044 1074266011 /nfs/dbraw/zinc/26/60/11/1074266011.db2.gz MDXDSTLHINBATO-UHFFFAOYSA-N -1 1 415.468 1.351 20 0 HDADMM C[C@@H](C(=O)N[C@H](c1nn[n-]n1)c1ccccc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000674603629 1074474902 /nfs/dbraw/zinc/47/49/02/1074474902.db2.gz OWXGCALRVOQXPC-DYVFJYSZSA-N -1 1 414.491 1.459 20 0 HDADMM O=C(NCc1nn[n-]n1)C(=O)Nc1ccc(Cl)cc1-c1nc(C2CCCC2)no1 ZINC000674682133 1074522008 /nfs/dbraw/zinc/52/20/08/1074522008.db2.gz PCJCVKSUGBQJAL-UHFFFAOYSA-N -1 1 416.829 1.816 20 0 HDADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)N1C[C@H](O)C[C@H](O)C1 ZINC000674807927 1074578969 /nfs/dbraw/zinc/57/89/69/1074578969.db2.gz FZOSRLQQLQSQGJ-OKILXGFUSA-N -1 1 412.414 1.333 20 0 HDADMM CC(=O)N[C@@](C)(C(=O)N1CCC([C@@H]2OCC[C@H]2[N-]C(=O)C(F)(F)F)CC1)C(C)C ZINC001128872250 1074605582 /nfs/dbraw/zinc/60/55/82/1074605582.db2.gz LKZXVCOCPGXCRR-RVKKMQEKSA-N -1 1 421.460 1.612 20 0 HDADMM C[C@@H](CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])c1ccncc1 ZINC000674903344 1074608109 /nfs/dbraw/zinc/60/81/09/1074608109.db2.gz RDJGABSHSPCXLV-AWEZNQCLSA-N -1 1 405.476 1.940 20 0 HDADMM CNc1nnc(CC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)s1 ZINC000554997558 1074673264 /nfs/dbraw/zinc/67/32/64/1074673264.db2.gz YIKCZHDJUVLHCW-UHFFFAOYSA-N -1 1 403.489 2.562 20 0 HDADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCN4CCOC[C@@H]4C3)cc2)cc1 ZINC000543613979 1074717776 /nfs/dbraw/zinc/71/77/76/1074717776.db2.gz RXEAGHJOVLQEJL-IBGZPJMESA-N -1 1 415.515 1.952 20 0 HDADMM COCc1nc2n(n1)C[C@H](NC(=O)N1CCC(C(=O)c3ccc([O-])cc3)CC1)CC2 ZINC000675114252 1074726310 /nfs/dbraw/zinc/72/63/10/1074726310.db2.gz MIDXENHGQAIMEK-MRXNPFEDSA-N -1 1 413.478 1.749 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)OCC(=O)N1CCOC[C@@H]1C1CC1 ZINC000766093828 1074739007 /nfs/dbraw/zinc/73/90/07/1074739007.db2.gz HUPQDHVENRVIRW-MRXNPFEDSA-N -1 1 402.451 1.165 20 0 HDADMM CCC[C@H](NC(=O)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1nn[n-]n1 ZINC000675144685 1074743137 /nfs/dbraw/zinc/74/31/37/1074743137.db2.gz UALSSJISVDWCCS-HNNXBMFYSA-N -1 1 408.528 1.823 20 0 HDADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)N1CCOC[C@H]1C1CC1 ZINC000766093322 1074747599 /nfs/dbraw/zinc/74/75/99/1074747599.db2.gz QLQDLYRIKIPGOU-KRWDZBQOSA-N -1 1 410.492 1.633 20 0 HDADMM O=C(NCc1nc[nH]n1)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000143236042 1075095759 /nfs/dbraw/zinc/09/57/59/1075095759.db2.gz OSKAYCNAZBAHML-UHFFFAOYSA-N -1 1 415.431 1.307 20 0 HDADMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)OC[C@H]1CNC(=O)O1 ZINC000923170956 1075134232 /nfs/dbraw/zinc/13/42/32/1075134232.db2.gz NGDKNRSTBLJYBR-OAHLLOKOSA-N -1 1 408.407 1.821 20 0 HDADMM COCCCn1ccc(NC(=O)c2ccc(I)c([O-])c2)n1 ZINC000546200506 1075158531 /nfs/dbraw/zinc/15/85/31/1075158531.db2.gz ORMTYVYNHHCGMW-UHFFFAOYSA-N -1 1 401.204 2.482 20 0 HDADMM CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000429255604 1075176666 /nfs/dbraw/zinc/17/66/66/1075176666.db2.gz HYHICELIGMPKGU-OAHLLOKOSA-N -1 1 404.492 1.831 20 0 HDADMM CNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CC1 ZINC000470654430 1075215549 /nfs/dbraw/zinc/21/55/49/1075215549.db2.gz RVMJZLOGKJOEIM-UHFFFAOYSA-N -1 1 402.476 1.585 20 0 HDADMM CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(Cl)c(S(N)(=O)=O)c2)ccc1[O-] ZINC000675752743 1075264338 /nfs/dbraw/zinc/26/43/38/1075264338.db2.gz SYPKXRMWRVNDQY-UHFFFAOYSA-N -1 1 419.868 1.452 20 0 HDADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCCNc1ccc(C(F)(F)F)cn1 ZINC000603659863 1075293976 /nfs/dbraw/zinc/29/39/76/1075293976.db2.gz PHVNBWWUPVSMIV-UHFFFAOYSA-N -1 1 421.401 1.781 20 0 HDADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCNc2ccc(-c3ccccc3)nn2)o1 ZINC000443481722 1075303484 /nfs/dbraw/zinc/30/34/84/1075303484.db2.gz HBWWFLOZWSRHCS-UHFFFAOYSA-N -1 1 416.459 2.304 20 0 HDADMM O=C([O-])[C@H](Cc1cnc[nH]1)NS(=O)(=O)c1c(Cl)cccc1Br ZINC000318749935 1075325446 /nfs/dbraw/zinc/32/54/46/1075325446.db2.gz LOCBFFFLFFCYGV-JTQLQIEISA-N -1 1 408.661 1.800 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCCC1N=NC(=S)N1C(C)C ZINC000731443317 1075339609 /nfs/dbraw/zinc/33/96/09/1075339609.db2.gz QXSGIJAEYQFHRV-UHFFFAOYSA-N -1 1 403.512 1.804 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCc1cc(=O)n2cc(Cl)ccc2n1 ZINC000731447986 1075344759 /nfs/dbraw/zinc/34/47/59/1075344759.db2.gz SEWCFSHCCAGRNQ-UHFFFAOYSA-N -1 1 413.821 1.999 20 0 HDADMM O=C(CO)Nc1cccc([N-]S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)c1 ZINC000543657860 1075393911 /nfs/dbraw/zinc/39/39/11/1075393911.db2.gz LTCZUUIIJNRPIC-UHFFFAOYSA-N -1 1 415.471 1.644 20 0 HDADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)CCS(C)(=O)=O)cc2)c1 ZINC000731596706 1075405259 /nfs/dbraw/zinc/40/52/59/1075405259.db2.gz WWVSROVXFYXBFS-UHFFFAOYSA-N -1 1 417.530 1.614 20 0 HDADMM C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000676337892 1075511970 /nfs/dbraw/zinc/51/19/70/1075511970.db2.gz GUWILMWZJWNGCC-BLLLJJGKSA-N -1 1 403.439 1.654 20 0 HDADMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNc1cc(C)nc(-c2cccnc2)n1 ZINC000438890246 1075525805 /nfs/dbraw/zinc/52/58/05/1075525805.db2.gz LMVSYKJFPBHHHT-UHFFFAOYSA-N -1 1 406.493 1.708 20 0 HDADMM Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000731852694 1075534172 /nfs/dbraw/zinc/53/41/72/1075534172.db2.gz CFPKXFHGAUVZAY-QGZVFWFLSA-N -1 1 406.450 1.545 20 0 HDADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCn3ncnn3)cc2)cc1 ZINC000676391001 1075535775 /nfs/dbraw/zinc/53/57/75/1075535775.db2.gz IPAJJMFYEVMWDD-UHFFFAOYSA-N -1 1 414.447 1.107 20 0 HDADMM Cc1c(Br)c2ccccc2n1CC(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000731854763 1075536387 /nfs/dbraw/zinc/53/63/87/1075536387.db2.gz CQWFDEVZYMKUIR-CYBMUJFWSA-N -1 1 405.256 1.825 20 0 HDADMM CCOc1c(Br)cc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)cc1OC ZINC000731855583 1075536596 /nfs/dbraw/zinc/53/65/96/1075536596.db2.gz UQDWJBHSGFYGMZ-GFCCVEGCSA-N -1 1 412.244 1.583 20 0 HDADMM O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000731880625 1075550792 /nfs/dbraw/zinc/55/07/92/1075550792.db2.gz RVGXIRLTHSXPNB-MRXNPFEDSA-N -1 1 402.418 1.661 20 0 HDADMM Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000731880044 1075551712 /nfs/dbraw/zinc/55/17/12/1075551712.db2.gz CFNGQPIYXWBZNE-OAHLLOKOSA-N -1 1 401.858 1.928 20 0 HDADMM C=CC(=O)NCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000731881548 1075552404 /nfs/dbraw/zinc/55/24/04/1075552404.db2.gz HPBBMQLREDRZKQ-UHFFFAOYSA-N -1 1 405.451 1.967 20 0 HDADMM CSc1nc(C)c(CCc2nc(-c3cnc(NCC(F)F)cn3)no2)c(=O)[n-]1 ZINC000581914593 1075561004 /nfs/dbraw/zinc/56/10/04/1075561004.db2.gz NNONACJJSKBFMI-UHFFFAOYSA-N -1 1 409.422 2.515 20 0 HDADMM C[C@H](O)CN(C)C(=O)C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000676539131 1075580048 /nfs/dbraw/zinc/58/00/48/1075580048.db2.gz QHXNBEXFWQTZOI-ZDUSSCGKSA-N -1 1 423.466 1.082 20 0 HDADMM O=C(C=Cc1ccc(I)o1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732092308 1075608420 /nfs/dbraw/zinc/60/84/20/1075608420.db2.gz XITQJWFCHSUZFG-HDMKULJXSA-N -1 1 401.164 1.011 20 0 HDADMM COc1ccc(Br)c2[nH]c(C(=O)N3CCO[C@H](c4nn[n-]n4)C3)cc21 ZINC000732089785 1075622624 /nfs/dbraw/zinc/62/26/24/1075622624.db2.gz MJYTVMOPDARXOD-LBPRGKRZSA-N -1 1 407.228 1.666 20 0 HDADMM O=C([C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732089447 1075623503 /nfs/dbraw/zinc/62/35/03/1075623503.db2.gz MVRTUJUWOZDYFZ-RNCFNFMXSA-N -1 1 411.249 1.460 20 0 HDADMM Cc1[nH]c2ccc(Br)cc2c1CC(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732090589 1075624929 /nfs/dbraw/zinc/62/49/29/1075624929.db2.gz XLIOEGRXISQCLY-AWEZNQCLSA-N -1 1 405.256 1.895 20 0 HDADMM O=C(c1csc(-c2ccc3c(c2)OCCO3)n1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732090250 1075625250 /nfs/dbraw/zinc/62/52/50/1075625250.db2.gz QRVPSOKJQHKKCS-AWEZNQCLSA-N -1 1 400.420 1.308 20 0 HDADMM Cc1ccc(C(=O)N[C@H](CC(=O)N2CCO[C@H](c3nn[n-]n3)C2)c2ccccc2)cc1 ZINC000732091672 1075625788 /nfs/dbraw/zinc/62/57/88/1075625788.db2.gz MQJKQYITOOYVFM-MOPGFXCFSA-N -1 1 420.473 1.969 20 0 HDADMM O=C(Cc1csc(NC(=O)c2ccccc2F)n1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732091532 1075626490 /nfs/dbraw/zinc/62/64/90/1075626490.db2.gz HMOJQSJICPYBAL-CYBMUJFWSA-N -1 1 417.426 1.190 20 0 HDADMM O=C(c1nnn(-c2cccc(F)c2)c1C(F)(F)F)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732091571 1075626586 /nfs/dbraw/zinc/62/65/86/1075626586.db2.gz JFTBMIDPIPCCLF-JTQLQIEISA-N -1 1 412.307 1.152 20 0 HDADMM O=C(Nc1ccccc1F)N1CCC[C@@H](C(=O)N2CCO[C@H](c3nn[n-]n3)C2)C1 ZINC000732091575 1075626693 /nfs/dbraw/zinc/62/66/93/1075626693.db2.gz JPRQDLHREDVUQX-DOMZBBRYSA-N -1 1 403.418 1.183 20 0 HDADMM O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732091648 1075626947 /nfs/dbraw/zinc/62/69/47/1075626947.db2.gz LYHCYLWARYDSCH-CQSZACIVSA-N -1 1 423.458 1.238 20 0 HDADMM COc1ccc(CN(C)S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)cn1 ZINC000676641480 1075630166 /nfs/dbraw/zinc/63/01/66/1075630166.db2.gz UVYQDGUYBQWPAM-UHFFFAOYSA-N -1 1 403.457 1.422 20 0 HDADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC3(C(N)=O)CCC3)c2)cc1 ZINC000676669654 1075638453 /nfs/dbraw/zinc/63/84/53/1075638453.db2.gz FQECXSCUXHITOT-UHFFFAOYSA-N -1 1 403.460 1.634 20 0 HDADMM CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCCN(C(=O)c3cncc([O-])c3)C2)CC1 ZINC000732275536 1075686761 /nfs/dbraw/zinc/68/67/61/1075686761.db2.gz JZOFWEQWAQFTOC-HNNXBMFYSA-N -1 1 418.494 1.719 20 0 HDADMM Cn1ccc(NCCNC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)n1 ZINC000552308242 1075696552 /nfs/dbraw/zinc/69/65/52/1075696552.db2.gz MSXPWGIKTCMLDC-UHFFFAOYSA-N -1 1 417.466 2.202 20 0 HDADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCCc2nc(N)no2)cc1 ZINC000461547873 1075723046 /nfs/dbraw/zinc/72/30/46/1075723046.db2.gz ZWHCXPDWCKFRLA-UHFFFAOYSA-N -1 1 401.448 1.734 20 0 HDADMM Cc1onc(N)c1S(=O)(=O)[N-]Cc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1 ZINC000561402810 1075729262 /nfs/dbraw/zinc/72/92/62/1075729262.db2.gz LQSZNXCTGKVRFT-UHFFFAOYSA-N -1 1 419.463 1.413 20 0 HDADMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000577716961 1075730689 /nfs/dbraw/zinc/73/06/89/1075730689.db2.gz BWOWVPQDCDGFQP-YPMHNXCESA-N -1 1 402.835 1.608 20 0 HDADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)N1CCC1)c1c(C)nn(-c2ccc(F)cc2)c1C ZINC000509446046 1075744397 /nfs/dbraw/zinc/74/43/97/1075744397.db2.gz DNFJGVSQRIMJAK-KRWDZBQOSA-N -1 1 410.471 1.773 20 0 HDADMM Nc1noc(CCNC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)n1 ZINC000544886991 1075758316 /nfs/dbraw/zinc/75/83/16/1075758316.db2.gz MTUKDFNAYUPIEG-UHFFFAOYSA-N -1 1 402.436 1.817 20 0 HDADMM CCCc1n[n-]c(=S)n1CC(=O)NCC[C@@](O)(c1nccn1C)C(F)(F)F ZINC000142209748 1075776931 /nfs/dbraw/zinc/77/69/31/1075776931.db2.gz MKNPLBWBEGVFIO-CQSZACIVSA-N -1 1 406.434 1.583 20 0 HDADMM C[C@@H]1CN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)c2)C[C@H]1O ZINC000509277278 1075816910 /nfs/dbraw/zinc/81/69/10/1075816910.db2.gz BCHFANZXHYQKSE-CXAGYDPISA-N -1 1 418.471 1.711 20 0 HDADMM O=S(=O)([N-]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cccc(F)c1F ZINC000732667939 1075825629 /nfs/dbraw/zinc/82/56/29/1075825629.db2.gz BLMDSRJEQPPUOC-UHFFFAOYSA-N -1 1 422.397 1.805 20 0 HDADMM C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732767050 1075849201 /nfs/dbraw/zinc/84/92/01/1075849201.db2.gz SGMFMKIEQQQRFM-KLICCBINSA-N -1 1 424.505 1.884 20 0 HDADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000017637695 1075894666 /nfs/dbraw/zinc/89/46/66/1075894666.db2.gz OSRBUPKTUPKODC-OAHLLOKOSA-N -1 1 408.501 1.713 20 0 HDADMM Cc1cc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)ccc1N1C(=O)CCC1=O ZINC000732951406 1075927274 /nfs/dbraw/zinc/92/72/74/1075927274.db2.gz KMLMGSPKAOXGMT-UHFFFAOYSA-N -1 1 422.484 1.853 20 0 HDADMM CNC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(C3(C(=O)OC)CC3)cc2)cc1 ZINC000611443169 1075935198 /nfs/dbraw/zinc/93/51/98/1075935198.db2.gz RDXXZDCKYYAYJV-UHFFFAOYSA-N -1 1 402.472 1.981 20 0 HDADMM CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(C3(C(=O)OC)CC3)cc2)cc1 ZINC000611443160 1075935241 /nfs/dbraw/zinc/93/52/41/1075935241.db2.gz PFEUHIWFFJYENP-UHFFFAOYSA-N -1 1 424.500 1.600 20 0 HDADMM O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1C[C@@H](c2cccc(F)c2)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001079200648 1075966697 /nfs/dbraw/zinc/96/66/97/1075966697.db2.gz CYMGFFROBHYPPE-UUAJXVIYSA-N -1 1 401.442 1.301 20 0 HDADMM Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CCn2cc[n-]c(=O)c2=O)cc1C ZINC000733146910 1075982322 /nfs/dbraw/zinc/98/23/22/1075982322.db2.gz WBSVPPYAUPFDAP-OAHLLOKOSA-N -1 1 402.476 1.084 20 0 HDADMM NC(=O)CNC(=S)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000727066665 1076036949 /nfs/dbraw/zinc/03/69/49/1076036949.db2.gz NJXZGOPEOQCUCB-UHFFFAOYSA-N -1 1 422.488 1.030 20 0 HDADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@H](C)c1nc2ccccc2[nH]1 ZINC000054640277 1076063980 /nfs/dbraw/zinc/06/39/80/1076063980.db2.gz SFOURUKPUSXTHR-CQSZACIVSA-N -1 1 410.478 1.601 20 0 HDADMM COCc1cccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N(C)OC)cc2)c1 ZINC000727352537 1076097806 /nfs/dbraw/zinc/09/78/06/1076097806.db2.gz HIKBKMFJDKOGKL-UHFFFAOYSA-N -1 1 400.478 1.816 20 0 HDADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC(n4cncn4)C3)c2)cc1 ZINC000727750259 1076224373 /nfs/dbraw/zinc/22/43/73/1076224373.db2.gz HDCWQKWBCDPWNS-UHFFFAOYSA-N -1 1 413.459 1.785 20 0 HDADMM CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)c3cnc4nc(C)ccc4c3[O-])C2)no1 ZINC000533616088 1076244408 /nfs/dbraw/zinc/24/44/08/1076244408.db2.gz NWSWDEKWKZXDJN-CQSZACIVSA-N -1 1 424.461 1.852 20 0 HDADMM CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)c3c[n-]c4nc(C)ccc4c3=O)C2)no1 ZINC000533616088 1076244412 /nfs/dbraw/zinc/24/44/12/1076244412.db2.gz NWSWDEKWKZXDJN-CQSZACIVSA-N -1 1 424.461 1.852 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1 ZINC000727851100 1076271486 /nfs/dbraw/zinc/27/14/86/1076271486.db2.gz GHBJFCMOILYRHD-SFHVURJKSA-N -1 1 419.441 1.609 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)NCc1ccc(Cn2cnc3ccccc32)cc1 ZINC000727853356 1076272442 /nfs/dbraw/zinc/27/24/42/1076272442.db2.gz QOPMDZCUGREUQY-UHFFFAOYSA-N -1 1 403.442 1.641 20 0 HDADMM C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)CCn1cc[n-]c(=O)c1=O ZINC000727855048 1076273455 /nfs/dbraw/zinc/27/34/55/1076273455.db2.gz YDFHDUVFDPOMNV-OAHLLOKOSA-N -1 1 413.478 1.060 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC000733984071 1076283723 /nfs/dbraw/zinc/28/37/23/1076283723.db2.gz YTHZUDZCNIXBJJ-OAQYLSRUSA-N -1 1 422.445 1.135 20 0 HDADMM COC(=O)c1ccc(S(=O)(=O)[N-]CC2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC000730812988 1076668215 /nfs/dbraw/zinc/66/82/15/1076668215.db2.gz VNXFLEUVBCPEJI-UHFFFAOYSA-N -1 1 402.469 1.992 20 0 HDADMM Cc1cccc(N2C(=O)N[C@H](CCC(=O)N[C@@H](c3nn[n-]n3)c3ccccc3)C2=O)c1 ZINC000730833174 1076674267 /nfs/dbraw/zinc/67/42/67/1076674267.db2.gz UVLFOHFYPUUTFZ-SJLPKXTDSA-N -1 1 419.445 1.619 20 0 HDADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2cc(F)ccc2N2CCOCC2)cc1 ZINC000730863681 1076676791 /nfs/dbraw/zinc/67/67/91/1076676791.db2.gz VEJQFCIQLKUDMP-UHFFFAOYSA-N -1 1 416.405 1.784 20 0 HDADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)CNC(=O)c2c(F)cccc2Cl)cc1 ZINC000731077636 1076718290 /nfs/dbraw/zinc/71/82/90/1076718290.db2.gz AYOFTZVIJWWGAI-UHFFFAOYSA-N -1 1 422.796 1.717 20 0 HDADMM CN1CCN(c2ncccc2CNC(=O)NC2(C(=O)[O-])Cc3ccccc3C2)CC1 ZINC001119635155 939814555 /nfs/dbraw/zinc/81/45/55/939814555.db2.gz JZOCAVUARQXLET-UHFFFAOYSA-N -1 1 409.490 1.255 20 0 HDADMM COc1ccc(-c2n[n-]c(S(=O)(=O)Cc3ncnn3C(C)(C)C)n2)c(OC)c1 ZINC000509147346 1073736562 /nfs/dbraw/zinc/73/65/62/1073736562.db2.gz RNAMSMHLVGLPCY-UHFFFAOYSA-N -1 1 406.468 1.809 20 0 HDADMM COc1ccc(-c2nc(S(=O)(=O)Cc3ncnn3C(C)(C)C)n[n-]2)c(OC)c1 ZINC000509147346 1073736571 /nfs/dbraw/zinc/73/65/71/1073736571.db2.gz RNAMSMHLVGLPCY-UHFFFAOYSA-N -1 1 406.468 1.809 20 0 HDADMM CN(C)C(=O)Cn1cnc(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1 ZINC000673859665 1073827174 /nfs/dbraw/zinc/82/71/74/1073827174.db2.gz MIMPOPMZUIRYGO-UHFFFAOYSA-N -1 1 400.439 1.199 20 0 HDADMM CC(C)OCCS(=O)(=O)NCC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000674010227 1074060317 /nfs/dbraw/zinc/06/03/17/1074060317.db2.gz KUTRLOQECHSZPU-UHFFFAOYSA-N -1 1 412.508 1.158 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000674667994 1074519383 /nfs/dbraw/zinc/51/93/83/1074519383.db2.gz RUUFGNYJCYMRTD-NSHDSACASA-N -1 1 402.476 1.875 20 0 HDADMM O=C(Nc1cnn(-c2ncccn2)c1)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000674762374 1074555592 /nfs/dbraw/zinc/55/55/92/1074555592.db2.gz KXQPYEWAIDASBX-UHFFFAOYSA-N -1 1 420.429 1.428 20 0 HDADMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N1C[C@H](O)C[C@H](O)C1 ZINC000674804844 1074571987 /nfs/dbraw/zinc/57/19/87/1074571987.db2.gz SIYCLVIMTWULPB-CALCHBBNSA-N -1 1 408.451 1.123 20 0 HDADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3C[C@H](O)C[C@H](O)C3)c2)c1 ZINC000674804883 1074572119 /nfs/dbraw/zinc/57/21/19/1074572119.db2.gz SZYNMCQTHSCFOA-CALCHBBNSA-N -1 1 404.488 1.672 20 0 HDADMM CCCCCCn1cc(S(=O)(=O)[N-]Cc2nnc(C3CC3)n2C)c(=O)[nH]c1=O ZINC000766077118 1074581035 /nfs/dbraw/zinc/58/10/35/1074581035.db2.gz LPQIWIMBMLAUCI-UHFFFAOYSA-N -1 1 410.500 1.014 20 0 HDADMM Cc1nn(C)cc1[C@@H]1CCCN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000675236454 1074768510 /nfs/dbraw/zinc/76/85/10/1074768510.db2.gz DEKCRGJTEKESRF-HNNXBMFYSA-N -1 1 416.500 1.765 20 0 HDADMM CCOC(=O)C(C)(C)C(=O)N1CCC([C@@H]2OCC[C@H]2[N-]C(=O)C(F)(F)F)CC1 ZINC001128974059 1074774408 /nfs/dbraw/zinc/77/44/08/1074774408.db2.gz BOGJVWMQXASHIK-OLZOCXBDSA-N -1 1 408.417 1.650 20 0 HDADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2C2CC2)o1 ZINC001128999085 1075145431 /nfs/dbraw/zinc/14/54/31/1075145431.db2.gz OTCURLZEHRZTCW-LBPRGKRZSA-N -1 1 404.510 1.006 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)N(CCCOc1ccccc1)C1CCOCC1 ZINC000766131033 1075149602 /nfs/dbraw/zinc/14/96/02/1075149602.db2.gz GPVMZBMFIDULQN-UHFFFAOYSA-N -1 1 401.463 1.403 20 0 HDADMM C[C@@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)C[C@H]1O ZINC000509339560 1075161383 /nfs/dbraw/zinc/16/13/83/1075161383.db2.gz BREYZNIFVOWCEX-CXAGYDPISA-N -1 1 418.471 1.711 20 0 HDADMM COc1cc([N-]S(=O)(=O)c2ccc(CCNC(C)=O)cc2)ccc1NC(N)=O ZINC000675550027 1075206511 /nfs/dbraw/zinc/20/65/11/1075206511.db2.gz ZNYMAVBTDKXSJW-UHFFFAOYSA-N -1 1 406.464 1.665 20 0 HDADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc3c2CCN3S(C)(=O)=O)ccc1C ZINC000543653130 1075311408 /nfs/dbraw/zinc/31/14/08/1075311408.db2.gz RUIUHCNKTJYEEN-UHFFFAOYSA-N -1 1 424.500 1.905 20 0 HDADMM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3cccc(NC(=O)C(N)=O)c3)cc2F)c1 ZINC000509377137 1075322874 /nfs/dbraw/zinc/32/28/74/1075322874.db2.gz VPIDHWAQTFZGIK-UHFFFAOYSA-N -1 1 417.422 1.544 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCc1cccc(S(=O)(=O)N(C)C)c1 ZINC000731446316 1075342831 /nfs/dbraw/zinc/34/28/31/1075342831.db2.gz FSGKVDGYADKGPS-UHFFFAOYSA-N -1 1 418.475 1.588 20 0 HDADMM NC(=O)C(=O)Nc1cccc([N-]S(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)c1 ZINC000509380960 1075357403 /nfs/dbraw/zinc/35/74/03/1075357403.db2.gz YSXGQWPEUGECQZ-UHFFFAOYSA-N -1 1 418.406 1.846 20 0 HDADMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C(N)=O)c2)cc1 ZINC000509382617 1075361579 /nfs/dbraw/zinc/36/15/79/1075361579.db2.gz DBVJTSROHOPOEC-UHFFFAOYSA-N -1 1 418.475 1.393 20 0 HDADMM O=C1NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(-n4cncn4)c(Cl)c3)ccc21 ZINC000731596485 1075404924 /nfs/dbraw/zinc/40/49/24/1075404924.db2.gz MAKGQVZMRALFGE-UHFFFAOYSA-N -1 1 403.807 1.605 20 0 HDADMM Cn1c(=O)[nH]c(=O)c2cc(C(=O)N3CCC(C(=O)c4ccc([O-])cc4)CC3)cnc21 ZINC000676187639 1075418014 /nfs/dbraw/zinc/41/80/14/1075418014.db2.gz IKYRTDOIDDNMKP-UHFFFAOYSA-N -1 1 408.414 1.475 20 0 HDADMM CCNS(=O)(=O)CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000731646392 1075423924 /nfs/dbraw/zinc/42/39/24/1075423924.db2.gz PDBYYGDMULIYFU-UHFFFAOYSA-N -1 1 411.505 1.157 20 0 HDADMM CCNS(=O)(=O)CCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000731647598 1075427815 /nfs/dbraw/zinc/42/78/15/1075427815.db2.gz VIFTZPHSPMCOTG-UHFFFAOYSA-N -1 1 411.505 1.157 20 0 HDADMM CC[C@@H](C)n1nc(NC(=O)NCC[N-]S(=O)(=O)c2sc(=O)[nH]c2C)cc1C ZINC000481150855 1075451425 /nfs/dbraw/zinc/45/14/25/1075451425.db2.gz RFJYANOUQLZRFK-SECBINFHSA-N -1 1 416.529 1.733 20 0 HDADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)NCC(=O)c1cccs1 ZINC000731718463 1075472742 /nfs/dbraw/zinc/47/27/42/1075472742.db2.gz PLNPLUCCNBNYLS-UHFFFAOYSA-N -1 1 410.473 1.666 20 0 HDADMM CCCN(C)[C@H](CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ccc(Cl)cc1 ZINC000804128631 1075501879 /nfs/dbraw/zinc/50/18/79/1075501879.db2.gz ZTXRUUPKEQIJMX-MRXNPFEDSA-N -1 1 402.886 1.924 20 0 HDADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCNC(=O)C3)cc2)cc1 ZINC000731782688 1075523874 /nfs/dbraw/zinc/52/38/74/1075523874.db2.gz KLZQYLJUFYDEKT-UHFFFAOYSA-N -1 1 403.460 1.600 20 0 HDADMM Cc1ccc(N2CCN(C(=O)Cc3c(C)nc(-c4ccncc4)[n-]c3=O)CC2=O)cc1 ZINC000804136431 1075526037 /nfs/dbraw/zinc/52/60/37/1075526037.db2.gz JYRGXSZVXHOTDL-UHFFFAOYSA-N -1 1 417.469 1.867 20 0 HDADMM CS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2cnn(-c3ccncc3)c2)cc1F ZINC000676351278 1075528065 /nfs/dbraw/zinc/52/80/65/1075528065.db2.gz VFSSXXXQYDUPLP-UHFFFAOYSA-N -1 1 411.440 1.579 20 0 HDADMM CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000731855667 1075536662 /nfs/dbraw/zinc/53/66/62/1075536662.db2.gz ZGEKHUYICQHINP-INIZCTEOSA-N -1 1 408.422 1.999 20 0 HDADMM CCOC(=O)c1cnn(-c2ccc(C(=O)N3CCO[C@@H](c4nn[n-]n4)C3)cc2)c1C ZINC000731854828 1075536713 /nfs/dbraw/zinc/53/67/13/1075536713.db2.gz GWZKBAXEFOBPIH-MRXNPFEDSA-N -1 1 411.422 1.084 20 0 HDADMM CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000731855668 1075536729 /nfs/dbraw/zinc/53/67/29/1075536729.db2.gz ZGEKHUYICQHINP-MRXNPFEDSA-N -1 1 408.422 1.999 20 0 HDADMM Cc1c(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)cnn1-c1ccc(Br)cc1 ZINC000731855009 1075537558 /nfs/dbraw/zinc/53/75/58/1075537558.db2.gz AHBYFXNAZBZQEB-CQSZACIVSA-N -1 1 418.255 1.670 20 0 HDADMM O=C(c1cccc([N-]S(=O)(=O)c2cccs2)c1)N1CCO[C@@H](c2nn[nH]n2)C1 ZINC000731854959 1075537962 /nfs/dbraw/zinc/53/79/62/1075537962.db2.gz MVTZAGUMIAJTSC-CYBMUJFWSA-N -1 1 420.476 1.276 20 0 HDADMM CC[C@H](C(=O)N1CCO[C@@H](c2nn[n-]n2)C1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000731880745 1075552124 /nfs/dbraw/zinc/55/21/24/1075552124.db2.gz XQWRXAGZPULAPB-CHWSQXEVSA-N -1 1 403.834 1.058 20 0 HDADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C2CC2)o1 ZINC000731883480 1075553434 /nfs/dbraw/zinc/55/34/34/1075553434.db2.gz ZMOVRTKDKPBGCK-KRWDZBQOSA-N -1 1 401.485 1.611 20 0 HDADMM C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732092372 1075608879 /nfs/dbraw/zinc/60/88/79/1075608879.db2.gz YRFIKFHJKCKBRZ-QPUJVOFHSA-N -1 1 416.663 1.983 20 0 HDADMM CSc1nc(C)c(CCC(=O)N2CCC[C@@H](C3N=NC(=S)N3C)C2)c(=O)[n-]1 ZINC000732077601 1075616696 /nfs/dbraw/zinc/61/66/96/1075616696.db2.gz NLTFFHPLZFOSKW-LLVKDONJSA-N -1 1 408.553 1.969 20 0 HDADMM O=C(COc1ccc(Br)cc1Cl)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732088867 1075621710 /nfs/dbraw/zinc/62/17/10/1075621710.db2.gz HDESZQSTJVPFJX-LLVKDONJSA-N -1 1 402.636 1.595 20 0 HDADMM O=C(c1ccccc1CS(=O)(=O)c1ccccc1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732089727 1075623095 /nfs/dbraw/zinc/62/30/95/1075623095.db2.gz CJKSRYUAKFIBLK-QGZVFWFLSA-N -1 1 413.459 1.387 20 0 HDADMM CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732091715 1075626260 /nfs/dbraw/zinc/62/62/60/1075626260.db2.gz OCYLWAAPSOSOII-GJZGRUSLSA-N -1 1 406.874 1.598 20 0 HDADMM COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)cc1OC ZINC000732091516 1075626269 /nfs/dbraw/zinc/62/62/69/1075626269.db2.gz HCTLWELSFJIUBM-USBNGQNGSA-N -1 1 416.438 1.025 20 0 HDADMM Cc1cccc(-n2ncc(C(=O)N3CCO[C@@H](c4nn[n-]n4)C3)c2C(F)(F)F)c1 ZINC000732091159 1075627569 /nfs/dbraw/zinc/62/75/69/1075627569.db2.gz TUVXTGMZZBMZCX-CYBMUJFWSA-N -1 1 407.356 1.926 20 0 HDADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3ccnc(N)n3)C2)o1 ZINC000509878793 1075632255 /nfs/dbraw/zinc/63/22/55/1075632255.db2.gz OSGBPTVPUSACPU-GFCCVEGCSA-N -1 1 407.496 1.748 20 0 HDADMM NC(=O)C1(NC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CCC1 ZINC000676670670 1075648805 /nfs/dbraw/zinc/64/88/05/1075648805.db2.gz BOFJAPXZHMGVLJ-UHFFFAOYSA-N -1 1 405.451 1.693 20 0 HDADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCc3nnc(N)o3)c2)cc1 ZINC000530486895 1075659793 /nfs/dbraw/zinc/65/97/93/1075659793.db2.gz MAIKDGATSLRGEE-UHFFFAOYSA-N -1 1 417.447 1.781 20 0 HDADMM CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]c2ccc(CN3CCN(C)CC3)cc2)s1 ZINC000676722102 1075667642 /nfs/dbraw/zinc/66/76/42/1075667642.db2.gz YIKYRZWYZUGFKP-UHFFFAOYSA-N -1 1 423.564 1.958 20 0 HDADMM Cc1oc2nc[nH]c(=O)c2c1C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000028671532 1075686988 /nfs/dbraw/zinc/68/69/88/1075686988.db2.gz BRVOBJJTHCCCMO-UHFFFAOYSA-N -1 1 418.431 1.567 20 0 HDADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000732306842 1075694703 /nfs/dbraw/zinc/69/47/03/1075694703.db2.gz ZSDWUBRMMMQFBO-UHFFFAOYSA-N -1 1 409.851 1.418 20 0 HDADMM Cc1onc(N)c1S(=O)(=O)[N-]C[C@H](CO)Cc1cccc(OC(F)(F)F)c1 ZINC000582754777 1075728630 /nfs/dbraw/zinc/72/86/30/1075728630.db2.gz OIRIJWNPUWXOCH-LLVKDONJSA-N -1 1 409.386 1.593 20 0 HDADMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1 ZINC000570367753 1075730462 /nfs/dbraw/zinc/73/04/62/1075730462.db2.gz ISCZLLZWFJDCBR-KRWDZBQOSA-N -1 1 414.487 2.118 20 0 HDADMM COc1ccc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)cc1S(=O)(=O)NC1CC1 ZINC000509265503 1075766429 /nfs/dbraw/zinc/76/64/29/1075766429.db2.gz VQCKZVSDYHRRKM-UHFFFAOYSA-N -1 1 422.463 1.244 20 0 HDADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)OCCNS(C)(=O)=O)cc1 ZINC000732501982 1075769850 /nfs/dbraw/zinc/76/98/50/1075769850.db2.gz GQDRLUKULMQUKW-UHFFFAOYSA-N -1 1 412.489 1.502 20 0 HDADMM CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)cc1 ZINC000509280031 1075815383 /nfs/dbraw/zinc/81/53/83/1075815383.db2.gz UPAZYKCWNPJKRJ-UHFFFAOYSA-N -1 1 408.480 1.872 20 0 HDADMM CCOC(=O)[C@]1([N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)CCc2ccccc21 ZINC000611032932 1075815405 /nfs/dbraw/zinc/81/54/05/1075815405.db2.gz PIILJSJDPOTIHP-KXBFYZLASA-N -1 1 405.476 1.528 20 0 HDADMM O=C(c1cc(F)ccc1I)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000611072345 1075825034 /nfs/dbraw/zinc/82/50/34/1075825034.db2.gz LWSKMZUDMLIXPM-QMMMGPOBSA-N -1 1 401.183 1.963 20 0 HDADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@]3(CO)CCOC3)c2)cc1 ZINC000543602740 1075827186 /nfs/dbraw/zinc/82/71/86/1075827186.db2.gz LEVIUSCFWHAGJS-HXUWFJFHSA-N -1 1 420.487 1.767 20 0 HDADMM C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732767052 1075849410 /nfs/dbraw/zinc/84/94/10/1075849410.db2.gz SGMFMKIEQQQRFM-NOCIGQNYSA-N -1 1 424.505 1.884 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732788930 1075857908 /nfs/dbraw/zinc/85/79/08/1075857908.db2.gz VBXYBDZLSCATHK-CYBMUJFWSA-N -1 1 413.400 1.606 20 0 HDADMM CCOC(=O)c1cc(Br)cc(S(=O)(=O)[N-]c2cc(C(N)=O)[nH]n2)c1 ZINC000611164885 1075864939 /nfs/dbraw/zinc/86/49/39/1075864939.db2.gz MUTMPTIHWMJZCU-UHFFFAOYSA-N -1 1 417.241 1.249 20 0 HDADMM COC(=O)C[C@H]1CCCCN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000611342441 1075906949 /nfs/dbraw/zinc/90/69/49/1075906949.db2.gz SKUQZYHLGWZNLK-GFCCVEGCSA-N -1 1 408.473 1.304 20 0 HDADMM Cc1ccc2c([O-])c(C(=O)NCC3CCN(S(=O)(=O)C(F)F)CC3)cnc2n1 ZINC000733001942 1075933786 /nfs/dbraw/zinc/93/37/86/1075933786.db2.gz SWRDYNSJWYPJMC-UHFFFAOYSA-N -1 1 414.434 1.638 20 0 HDADMM Cc1ccc2c(=O)c(C(=O)NCC3CCN(S(=O)(=O)C(F)F)CC3)c[n-]c2n1 ZINC000733001942 1075933789 /nfs/dbraw/zinc/93/37/89/1075933789.db2.gz SWRDYNSJWYPJMC-UHFFFAOYSA-N -1 1 414.434 1.638 20 0 HDADMM COC(=O)C1(c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)C(=O)NCC4)cc2)CC1 ZINC000611443283 1075935231 /nfs/dbraw/zinc/93/52/31/1075935231.db2.gz AIVLORBBVSHDAH-UHFFFAOYSA-N -1 1 400.456 1.978 20 0 HDADMM COc1ccc(NC(=O)c2nnn(Cc3cc(C)on3)c2C)cc1[N-]S(C)(=O)=O ZINC000505214329 1075971120 /nfs/dbraw/zinc/97/11/20/1075971120.db2.gz YZRZJCXJWWEYHW-UHFFFAOYSA-N -1 1 420.451 1.564 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000733141867 1075973731 /nfs/dbraw/zinc/97/37/31/1075973731.db2.gz JZRSZSWSCFDFLD-UHFFFAOYSA-N -1 1 419.869 1.347 20 0 HDADMM CC(C)(C)OC(=O)N1CCC(N(C(=O)CCn2cc[n-]c(=O)c2=O)C2CC2)CC1 ZINC000733145384 1075975340 /nfs/dbraw/zinc/97/53/40/1075975340.db2.gz QSBVQDAROVRDDS-UHFFFAOYSA-N -1 1 406.483 1.317 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000733155558 1075988883 /nfs/dbraw/zinc/98/88/83/1075988883.db2.gz TWLKHQHQPPAXRA-GOSISDBHSA-N -1 1 406.442 1.293 20 0 HDADMM CCCCCCn1nc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)c2ccccc2c1=O ZINC000733360824 1076052372 /nfs/dbraw/zinc/05/23/72/1076052372.db2.gz VUPYCLFKOCHMHG-UHFFFAOYSA-N -1 1 418.479 1.751 20 0 HDADMM CCCCCCn1nc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c2ccccc2c1=O ZINC000733360824 1076052377 /nfs/dbraw/zinc/05/23/77/1076052377.db2.gz VUPYCLFKOCHMHG-UHFFFAOYSA-N -1 1 418.479 1.751 20 0 HDADMM COC(=O)c1cc(S(=O)(=O)[N-]Cc2cccc(CO)c2)c(Br)o1 ZINC000751325624 1076053428 /nfs/dbraw/zinc/05/34/28/1076053428.db2.gz LHMGZBNTYUFVGJ-UHFFFAOYSA-N -1 1 404.238 1.800 20 0 HDADMM O=C(CCNC(=O)c1cccs1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000021006373 1076060120 /nfs/dbraw/zinc/06/01/20/1076060120.db2.gz SHQMGFJKYHTYGV-UHFFFAOYSA-N -1 1 423.516 1.997 20 0 HDADMM O=C(CCCCc1ccc(I)cc1)NN1CC(=O)[N-]C1=O ZINC000727848419 1076270481 /nfs/dbraw/zinc/27/04/81/1076270481.db2.gz LVLSRCZNEAPQGR-UHFFFAOYSA-N -1 1 401.204 1.587 20 0 HDADMM COC(=O)Cc1sc(NC(=O)CCn2cc[n-]c(=O)c2=O)nc1-c1ccccc1 ZINC000727851016 1076271396 /nfs/dbraw/zinc/27/13/96/1076271396.db2.gz CCVDGYDVOWZHCU-UHFFFAOYSA-N -1 1 414.443 1.404 20 0 HDADMM COc1ccc(NC(=O)c2cccc(NC(=O)CCn3cc[n-]c(=O)c3=O)c2)cn1 ZINC000727854111 1076272679 /nfs/dbraw/zinc/27/26/79/1076272679.db2.gz XXEGZBSYVJIAFT-UHFFFAOYSA-N -1 1 409.402 1.221 20 0 HDADMM CCCN(C(=O)CCn1cc[n-]c(=O)c1=O)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000733981909 1076282152 /nfs/dbraw/zinc/28/21/52/1076282152.db2.gz OVRPFSHOEAHDCT-UHFFFAOYSA-N -1 1 414.510 1.241 20 0 HDADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2cn(C)c3nc(C)ccc3c2=O)cc1 ZINC000734036498 1076295132 /nfs/dbraw/zinc/29/51/32/1076295132.db2.gz DEJKZIJPAHVVCH-UHFFFAOYSA-N -1 1 409.398 1.364 20 0 HDADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)CCS(C)(=O)=O)c2)c1 ZINC000728029028 1076311904 /nfs/dbraw/zinc/31/19/04/1076311904.db2.gz UWBBRBUIZIZOKK-UHFFFAOYSA-N -1 1 410.517 1.912 20 0 HDADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)C(F)(F)Oc2ccc(C=O)cc2)cc1 ZINC000730869472 1076679677 /nfs/dbraw/zinc/67/96/77/1076679677.db2.gz JORWBUBFNXFAPA-UHFFFAOYSA-N -1 1 407.325 1.979 20 0 HDADMM CCC(Nc1cc(CC(C)(C)C)nn1C)=C1C(=O)[N-]C(=S)N(CCOC)C1=O ZINC000731058242 1076720276 /nfs/dbraw/zinc/72/02/76/1076720276.db2.gz TXPTXSWGAOBNRB-SQFISAMPSA-N -1 1 407.540 1.974 20 0 HDADMM CCCN(Cc1ccc(OC)cc1)C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000673635785 1073461661 /nfs/dbraw/zinc/46/16/61/1073461661.db2.gz IRWRBSCXKCBIKX-UHFFFAOYSA-N -1 1 409.464 1.104 20 0 HDADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCn2c(nnc2C2CCCC2)C1 ZINC000429071687 1073515093 /nfs/dbraw/zinc/51/50/93/1073515093.db2.gz QYRDBMVGQJBNSV-UHFFFAOYSA-N -1 1 419.489 1.974 20 0 HDADMM C[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1)C(C)(C)O ZINC000673690766 1073635392 /nfs/dbraw/zinc/63/53/92/1073635392.db2.gz OZLBQCGTGNVEDE-NSHDSACASA-N -1 1 418.475 1.959 20 0 HDADMM Cn1[n-]cc2c(=NC(=O)[C@@H]3Cc4ccc(Br)cc4C(=O)O3)ccnc1-2 ZINC001128531724 1073653606 /nfs/dbraw/zinc/65/36/06/1073653606.db2.gz AAPRKLGVRREOML-AWEZNQCLSA-N -1 1 401.220 1.825 20 0 HDADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)CCOC[C@H]3CCCO3)c2)n1 ZINC001128619667 1074186078 /nfs/dbraw/zinc/18/60/78/1074186078.db2.gz DZBBVAXTCRQRAV-MRXNPFEDSA-N -1 1 402.451 1.850 20 0 HDADMM CN(Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000674486858 1074390836 /nfs/dbraw/zinc/39/08/36/1074390836.db2.gz FJBAJMQJDUFFPY-AWEZNQCLSA-N -1 1 415.475 1.331 20 0 HDADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2C[C@H](O)C[C@H](O)C2)cc1 ZINC000674807625 1074572996 /nfs/dbraw/zinc/57/29/96/1074572996.db2.gz FPKATXDLNJRPRN-CALCHBBNSA-N -1 1 408.451 1.503 20 0 HDADMM C[C@H]1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)c2)C[C@@H]1O ZINC000509310934 1074732108 /nfs/dbraw/zinc/73/21/08/1074732108.db2.gz RRKBXYXVELVKBR-LRDDRELGSA-N -1 1 404.444 1.669 20 0 HDADMM CCC[C@@H](NC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl)c1nn[n-]n1 ZINC000675143859 1074742786 /nfs/dbraw/zinc/74/27/86/1074742786.db2.gz GAEJXWAXYOZFNA-LLVKDONJSA-N -1 1 421.310 1.833 20 0 HDADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@]3(CCS(=O)(=O)C3)C2)o1 ZINC001128964508 1074768232 /nfs/dbraw/zinc/76/82/32/1074768232.db2.gz SNMKEOMQZGRKSO-QGZVFWFLSA-N -1 1 418.537 1.397 20 0 HDADMM COC(=O)NCCCC(=O)N1CCC([C@@H]2OCC[C@H]2[N-]C(=O)C(F)(F)F)CC1 ZINC001128974151 1074774795 /nfs/dbraw/zinc/77/47/95/1074774795.db2.gz VHLXXFANFBRRDV-OCCSQVGLSA-N -1 1 409.405 1.197 20 0 HDADMM Cc1cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000429331902 1074821938 /nfs/dbraw/zinc/82/19/38/1074821938.db2.gz FTVTUHBTAMCRGY-MRXNPFEDSA-N -1 1 423.473 1.765 20 0 HDADMM Cc1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000429331902 1074821941 /nfs/dbraw/zinc/82/19/41/1074821941.db2.gz FTVTUHBTAMCRGY-MRXNPFEDSA-N -1 1 423.473 1.765 20 0 HDADMM Cn1nccc1[C@@H]1C[C@H](NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CCO1 ZINC001129066099 1075277917 /nfs/dbraw/zinc/27/79/17/1075277917.db2.gz DNEHUXVEPHVEDR-DOMZBBRYSA-N -1 1 410.496 1.740 20 0 HDADMM COc1cc(NC(=O)Nc2cc(OC(F)F)n(C)n2)ccc1[N-]S(C)(=O)=O ZINC000554446952 1075324411 /nfs/dbraw/zinc/32/44/11/1075324411.db2.gz RORDBQVHEKUHDT-UHFFFAOYSA-N -1 1 405.383 2.046 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)O[C@H](C)C(=O)NC(=O)Nc1ccccc1 ZINC000731447913 1075345139 /nfs/dbraw/zinc/34/51/39/1075345139.db2.gz PKZAYYROJFVWAN-CYBMUJFWSA-N -1 1 411.418 1.874 20 0 HDADMM CON(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)cc1 ZINC000731435215 1075349928 /nfs/dbraw/zinc/34/99/28/1075349928.db2.gz YACRBXYLNDZEGV-UHFFFAOYSA-N -1 1 416.452 1.663 20 0 HDADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000448401600 1075519535 /nfs/dbraw/zinc/51/95/35/1075519535.db2.gz JTDBOSWVIUTZGR-UHFFFAOYSA-N -1 1 414.388 1.657 20 0 HDADMM CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)cc2)s1 ZINC000731780888 1075522545 /nfs/dbraw/zinc/52/25/45/1075522545.db2.gz JDPSAOALZULSEK-UHFFFAOYSA-N -1 1 409.537 1.963 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1cccc(CNc2ccncn2)c1 ZINC000554878285 1075530180 /nfs/dbraw/zinc/53/01/80/1075530180.db2.gz JGPPNUGTDIOZBW-UHFFFAOYSA-N -1 1 403.446 2.384 20 0 HDADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)NCCn2ncnn2)cc1 ZINC000676390412 1075535351 /nfs/dbraw/zinc/53/53/51/1075535351.db2.gz BLDDHGJXXLSLEM-UHFFFAOYSA-N -1 1 404.427 1.351 20 0 HDADMM O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000731855461 1075537110 /nfs/dbraw/zinc/53/71/10/1075537110.db2.gz ODNKIXCJAFOQOB-KRWDZBQOSA-N -1 1 402.418 1.661 20 0 HDADMM C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000731855027 1075537496 /nfs/dbraw/zinc/53/74/96/1075537496.db2.gz BBEZHCYPBAFGMW-UFBFGSQYSA-N -1 1 400.208 1.469 20 0 HDADMM Cc1c(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000731880707 1075550759 /nfs/dbraw/zinc/55/07/59/1075550759.db2.gz WFUGSSGOAHQECX-LLVKDONJSA-N -1 1 415.479 1.220 20 0 HDADMM Cc1cccc(-n2c(=O)c3ccc(C(=O)NCc4nn[n-]n4)cc3[nH]c2=S)c1C ZINC000731888325 1075556586 /nfs/dbraw/zinc/55/65/86/1075556586.db2.gz VDFSZEXYWTYVCA-UHFFFAOYSA-N -1 1 407.459 1.734 20 0 HDADMM CCc1ccc([C@H](O)CNC(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)cc1 ZINC000804156669 1075562223 /nfs/dbraw/zinc/56/22/23/1075562223.db2.gz LMUXRGNRDCKYKZ-LJQANCHMSA-N -1 1 414.506 1.672 20 0 HDADMM COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732092016 1075608856 /nfs/dbraw/zinc/60/88/56/1075608856.db2.gz VDLWZEBAFBHRLQ-UKRRQHHQSA-N -1 1 420.857 1.066 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC[C@H](C2N=NC(=S)N2C)C1 ZINC000732077009 1075616278 /nfs/dbraw/zinc/61/62/78/1075616278.db2.gz BOTDSDDCXCXIID-LBPRGKRZSA-N -1 1 401.496 1.418 20 0 HDADMM COc1ccc(Br)c2[nH]c(C(=O)N3CCO[C@@H](c4nn[n-]n4)C3)cc21 ZINC000732089784 1075622539 /nfs/dbraw/zinc/62/25/39/1075622539.db2.gz MJYTVMOPDARXOD-GFCCVEGCSA-N -1 1 407.228 1.666 20 0 HDADMM O=C([C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732089721 1075622943 /nfs/dbraw/zinc/62/29/43/1075622943.db2.gz CGNVMPZNTYIGMO-GXFFZTMASA-N -1 1 411.249 1.460 20 0 HDADMM Cc1[nH]c2ccc(Br)cc2c1CC(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732090590 1075624906 /nfs/dbraw/zinc/62/49/06/1075624906.db2.gz XLIOEGRXISQCLY-CQSZACIVSA-N -1 1 405.256 1.895 20 0 HDADMM O=C(c1ccccc1OC(F)F)N1CCC[C@@H]1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732091704 1075626129 /nfs/dbraw/zinc/62/61/29/1075626129.db2.gz NUIAIYJLKVOFIZ-TZMCWYRMSA-N -1 1 422.392 1.006 20 0 HDADMM Cc1ccc(-n2cnnc2SCC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)cc1C ZINC000732091164 1075627545 /nfs/dbraw/zinc/62/75/45/1075627545.db2.gz TWLPQHSEPLTPKQ-CQSZACIVSA-N -1 1 400.468 1.089 20 0 HDADMM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3nnc[nH]3)ccc2F)cc1 ZINC000732120855 1075629344 /nfs/dbraw/zinc/62/93/44/1075629344.db2.gz NXULCUOZXQTDNF-UHFFFAOYSA-N -1 1 405.411 1.683 20 0 HDADMM C[C@@H]1CCCN(C(=O)C2CCN(C(=O)CN3CCC(c4n[nH]c(=O)[n-]4)CC3)CC2)C1 ZINC000676640619 1075630196 /nfs/dbraw/zinc/63/01/96/1075630196.db2.gz SHSVQEAYOGZDOF-OAHLLOKOSA-N -1 1 418.542 1.187 20 0 HDADMM Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NCc3nn[n-]n3)c2)c1 ZINC000732157941 1075640245 /nfs/dbraw/zinc/64/02/45/1075640245.db2.gz MJHSVLSRBIBZGE-UHFFFAOYSA-N -1 1 406.855 1.892 20 0 HDADMM CC(C)CNS(=O)(=O)c1cc(C(=O)NCc2nn[n-]n2)c(Cl)cc1Cl ZINC000732158788 1075641365 /nfs/dbraw/zinc/64/13/65/1075641365.db2.gz MLZHDJAIKQFMHS-UHFFFAOYSA-N -1 1 407.283 1.371 20 0 HDADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCc3nnc(N)o3)c2)cc1 ZINC000530385068 1075658772 /nfs/dbraw/zinc/65/87/72/1075658772.db2.gz OTGJDUVZRKODJU-UHFFFAOYSA-N -1 1 417.447 1.781 20 0 HDADMM Cn1cnnc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC000429462210 1075674661 /nfs/dbraw/zinc/67/46/61/1075674661.db2.gz AEVWGCKVVNKCQV-UHFFFAOYSA-N -1 1 401.404 1.597 20 0 HDADMM COc1cc(Cl)c(C)cc1NC(=O)CC[N-]S(=O)(=O)c1c(N)noc1C ZINC000576387637 1075696885 /nfs/dbraw/zinc/69/68/85/1075696885.db2.gz OTHJABRIOLHNFV-UHFFFAOYSA-N -1 1 402.860 1.843 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)Nc1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC000732291681 1075700597 /nfs/dbraw/zinc/70/05/97/1075700597.db2.gz KPVBKHHXUUVALW-UHFFFAOYSA-N -1 1 413.455 1.539 20 0 HDADMM COC(=O)CSCC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000509440856 1075724269 /nfs/dbraw/zinc/72/42/69/1075724269.db2.gz ZEJUMKMKYCKECY-UHFFFAOYSA-N -1 1 416.304 1.965 20 0 HDADMM CCCc1n[n-]c(=S)n1CC(=O)NCC[C@](O)(c1nccn1C)C(F)(F)F ZINC000142209952 1075776863 /nfs/dbraw/zinc/77/68/63/1075776863.db2.gz MKNPLBWBEGVFIO-AWEZNQCLSA-N -1 1 406.434 1.583 20 0 HDADMM Cn1cc(S(=O)(=O)[N-]C2(c3c(Cl)cccc3Cl)CC2)c(=O)n(C)c1=O ZINC000470608948 1075780212 /nfs/dbraw/zinc/78/02/12/1075780212.db2.gz YUBNJJPDDGVDGI-UHFFFAOYSA-N -1 1 404.275 1.358 20 0 HDADMM CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccccc3-n3cncn3)ccc2O1 ZINC000611027971 1075813813 /nfs/dbraw/zinc/81/38/13/1075813813.db2.gz ZUQHESXYJPUWMI-SFHVURJKSA-N -1 1 414.443 1.935 20 0 HDADMM Cc1c(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)cnn1CCO[C@H]1CCCCO1 ZINC000509294366 1075863138 /nfs/dbraw/zinc/86/31/38/1075863138.db2.gz OULHSZLQVPXFDI-INIZCTEOSA-N -1 1 405.455 1.843 20 0 HDADMM CCOC(=O)[C@H](CO)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000611289084 1075893507 /nfs/dbraw/zinc/89/35/07/1075893507.db2.gz MAMBZIVLGLVADQ-KRWDZBQOSA-N -1 1 406.460 1.450 20 0 HDADMM CCOC(=O)[C@@H](CO)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000611288877 1075893724 /nfs/dbraw/zinc/89/37/24/1075893724.db2.gz DTKFLSRCKPOACX-QGZVFWFLSA-N -1 1 406.460 1.450 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1 ZINC000733142606 1075974258 /nfs/dbraw/zinc/97/42/58/1075974258.db2.gz NUICRIPQPZTJDW-UHFFFAOYSA-N -1 1 404.426 1.768 20 0 HDADMM CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCCN1C(=O)CCn1cc[n-]c(=O)c1=O ZINC000733142315 1075974368 /nfs/dbraw/zinc/97/43/68/1075974368.db2.gz ACPYEHPAZXWQEG-CVEARBPZSA-N -1 1 420.510 1.707 20 0 HDADMM CCn1cc(S(=O)(=O)Nc2ccc(F)c(S(=O)(=O)NC)c2)cc1C(=O)[O-] ZINC000507613980 1075979102 /nfs/dbraw/zinc/97/91/02/1075979102.db2.gz APQBLGFEJIQCAE-UHFFFAOYSA-N -1 1 405.429 1.054 20 0 HDADMM Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)CCn1cc[n-]c(=O)c1=O ZINC000733145538 1075981022 /nfs/dbraw/zinc/98/10/22/1075981022.db2.gz JLJREPZMMFKUJK-UHFFFAOYSA-N -1 1 402.476 1.063 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1 ZINC000733152430 1075987269 /nfs/dbraw/zinc/98/72/69/1075987269.db2.gz VFNRGTWPZLOCSH-UHFFFAOYSA-N -1 1 404.854 1.845 20 0 HDADMM Cc1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1cc(Br)cnc1Cl)CC2 ZINC000727173003 1076069481 /nfs/dbraw/zinc/06/94/81/1076069481.db2.gz RHWDQQPVTYKBSZ-VIFPVBQESA-N -1 1 406.693 1.691 20 0 HDADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(NC(=O)Oc3ccccc3)CC2)o1 ZINC000727404153 1076115432 /nfs/dbraw/zinc/11/54/32/1076115432.db2.gz NBLVQTNINLGDEX-UHFFFAOYSA-N -1 1 407.448 1.581 20 0 HDADMM COC(=O)C[C@@H]([N-]S(=O)(=O)/C=C\c1ccccc1Br)C(=O)OC ZINC000727442936 1076122796 /nfs/dbraw/zinc/12/27/96/1076122796.db2.gz HKJHJWGHAAGUIV-QDZRJHCZSA-N -1 1 406.254 1.444 20 0 HDADMM C[C@H](CN(C)C(=O)OC(C)(C)C)c1noc(C[N-]S(=O)(=O)c2cnn(C)c2)n1 ZINC000733742411 1076196070 /nfs/dbraw/zinc/19/60/70/1076196070.db2.gz JTNDNTLNONMMAE-LLVKDONJSA-N -1 1 414.488 1.252 20 0 HDADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)N1CC(n2cncn2)C1 ZINC000727763437 1076218038 /nfs/dbraw/zinc/21/80/38/1076218038.db2.gz NJHRKESUNWAJJG-UHFFFAOYSA-N -1 1 401.423 1.915 20 0 HDADMM CC[S@@](=O)CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000733882856 1076238905 /nfs/dbraw/zinc/23/89/05/1076238905.db2.gz QKVAQPGVDCILCA-AREMUKBSSA-N -1 1 410.517 1.994 20 0 HDADMM CN1Cc2ccccc2[C@@H](NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000534530702 1076247813 /nfs/dbraw/zinc/24/78/13/1076247813.db2.gz HREVLIIYFDKQFF-INIZCTEOSA-N -1 1 413.496 1.662 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)Nc1cccc(COCC(F)(F)C(F)F)c1 ZINC000727852605 1076271797 /nfs/dbraw/zinc/27/17/97/1076271797.db2.gz ZMNXDUUZRHFNPE-UHFFFAOYSA-N -1 1 403.332 1.982 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)Nc1ccc(CC(=O)N2CCc3ccccc32)cc1 ZINC000727853870 1076272737 /nfs/dbraw/zinc/27/27/37/1076272737.db2.gz RMAAMGMVWAFXHZ-UHFFFAOYSA-N -1 1 418.453 1.697 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C1CCN(C(=O)c2cccnc2)CC1 ZINC000733982455 1076282560 /nfs/dbraw/zinc/28/25/60/1076282560.db2.gz DBPORNNIAAOVGS-UHFFFAOYSA-N -1 1 408.462 1.615 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C=Cc1ccc(NS(C)(=O)=O)cc1 ZINC000733983512 1076282864 /nfs/dbraw/zinc/28/28/64/1076282864.db2.gz ORBQVSIDGNNCAJ-TWGQIWQCSA-N -1 1 415.475 1.753 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@H]1CSCN1C(=O)OC(C)(C)C ZINC000733984113 1076283320 /nfs/dbraw/zinc/28/33/20/1076283320.db2.gz ZVIFOERSJDPWMH-CYBMUJFWSA-N -1 1 407.496 1.978 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C ZINC000733984114 1076283343 /nfs/dbraw/zinc/28/33/43/1076283343.db2.gz ZVIFOERSJDPWMH-ZDUSSCGKSA-N -1 1 407.496 1.978 20 0 HDADMM CN1C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(N4CCOCC4)c(F)c3)cc2C1=O ZINC000728016764 1076304313 /nfs/dbraw/zinc/30/43/13/1076304313.db2.gz VZGRQBROEJZPKZ-UHFFFAOYSA-N -1 1 419.434 1.689 20 0 HDADMM O=C(COC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)NC1CCOCC1 ZINC000728088546 1076325734 /nfs/dbraw/zinc/32/57/34/1076325734.db2.gz JKDIKMDCVWSIJE-UHFFFAOYSA-N -1 1 418.471 1.939 20 0 HDADMM CN(CCS(C)(=O)=O)C(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000728081502 1076335138 /nfs/dbraw/zinc/33/51/38/1076335138.db2.gz FZMJKMDVHOHBEB-KRWDZBQOSA-N -1 1 404.488 1.653 20 0 HDADMM C[C@@H](CN1CCN(C)CC1)NC(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O ZINC000730228360 1076486286 /nfs/dbraw/zinc/48/62/86/1076486286.db2.gz SIMVBGQZUVKCCO-HNNXBMFYSA-N -1 1 404.536 1.577 20 0 HDADMM CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)OCC(=O)[N-]C(=O)c1ccc(OC)cc1 ZINC000730325630 1076541114 /nfs/dbraw/zinc/54/11/14/1076541114.db2.gz OFNNCBFAQFRHST-AKOROQJMSA-N -1 1 420.487 1.753 20 0 HDADMM C[C@H](OC(=O)c1ccc(Cl)c(Cl)c1[O-])C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000730361179 1076550782 /nfs/dbraw/zinc/55/07/82/1076550782.db2.gz YRNJGTFOGFQXFK-DTWKUNHWSA-N -1 1 410.275 1.890 20 0 HDADMM CN1CCN(c2ccc(Cl)cc2NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1 ZINC000730522643 1076588418 /nfs/dbraw/zinc/58/84/18/1076588418.db2.gz WSFSQLFVMVPQTG-UHFFFAOYSA-N -1 1 401.858 1.115 20 0 HDADMM COc1ccc(N[C@@H]2CC(=O)N([C@@H](C)c3cccnc3)C2=O)cc1[N-]S(C)(=O)=O ZINC000731219568 1076767086 /nfs/dbraw/zinc/76/70/86/1076767086.db2.gz ZDOMRBIGZODNIG-BLLLJJGKSA-N -1 1 418.475 1.762 20 0 HDADMM C[C@@](NC(=O)N[C@H]1CCCc2cn[nH]c21)(C(=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000797725994 939188753 /nfs/dbraw/zinc/18/87/53/939188753.db2.gz XPOOXZUKSNVZIA-KSSFIOAISA-N -1 1 406.464 1.490 20 0 HDADMM CN1CCN(c2cc(CNC(=O)NC3(C(=O)[O-])Cc4ccccc4C3)ccn2)CC1 ZINC001262174981 939826913 /nfs/dbraw/zinc/82/69/13/939826913.db2.gz PWMFWZUZWMBRSB-UHFFFAOYSA-N -1 1 409.490 1.255 20 0 HDADMM COc1ccccc1[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000673661511 1073615487 /nfs/dbraw/zinc/61/54/87/1073615487.db2.gz GNOCWHSDPRWUIS-AWEZNQCLSA-N -1 1 421.475 1.419 20 0 HDADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCc1csc(N(C)C)n1 ZINC000673804923 1073745564 /nfs/dbraw/zinc/74/55/64/1073745564.db2.gz IBUNQAYPWACJSJ-UHFFFAOYSA-N -1 1 406.512 1.099 20 0 HDADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3C[C@H](O)C[C@H](O)C3)ccc2C)c1 ZINC000674804939 1074572004 /nfs/dbraw/zinc/57/20/04/1074572004.db2.gz KQPPMFWPLRFIOL-HDICACEKSA-N -1 1 404.488 1.672 20 0 HDADMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H](CSC)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)n1 ZINC001128846771 1074590025 /nfs/dbraw/zinc/59/00/25/1074590025.db2.gz GXWRVLVWXAAGCR-NTZNESFSSA-N -1 1 408.480 1.432 20 0 HDADMM CCOC(=O)c1c[n-]c(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)n1 ZINC001128846853 1074590110 /nfs/dbraw/zinc/59/01/10/1074590110.db2.gz HYMHEWWIAOWIMT-UHFFFAOYSA-N -1 1 400.416 1.887 20 0 HDADMM COC(=O)C[C@H](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[N-]C(=O)C(F)(F)F)CC1 ZINC001128870891 1074611070 /nfs/dbraw/zinc/61/10/70/1074611070.db2.gz BDJOCMJMQVPNOG-KFNAQCHYSA-N -1 1 408.417 1.650 20 0 HDADMM COc1cc(F)c([N-]C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)cc1F ZINC000675186108 1074751394 /nfs/dbraw/zinc/75/13/94/1074751394.db2.gz KBCCINVKJUDFGB-UHFFFAOYSA-N -1 1 402.375 1.840 20 0 HDADMM O=C(NCCNc1cnccn1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436613381 1074759320 /nfs/dbraw/zinc/75/93/20/1074759320.db2.gz QKTSXAYQMJIIGR-GOSISDBHSA-N -1 1 405.458 2.168 20 0 HDADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)o1 ZINC000675564188 1075204307 /nfs/dbraw/zinc/20/43/07/1075204307.db2.gz VHGSSQZKBIDAKW-AWEZNQCLSA-N -1 1 411.524 1.877 20 0 HDADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000675605392 1075221553 /nfs/dbraw/zinc/22/15/53/1075221553.db2.gz HIUREJDFASYJLK-KRWDZBQOSA-N -1 1 409.490 1.590 20 0 HDADMM O=C(Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)c1cc(=O)n2[n-]cnc2n1 ZINC000546798682 1075241268 /nfs/dbraw/zinc/24/12/68/1075241268.db2.gz FMWGEHFCZXQEMY-UHFFFAOYSA-N -1 1 415.475 1.917 20 0 HDADMM CO[C@H]1C[C@@H](N(C)C(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)C12CCC2 ZINC001129036387 1075248610 /nfs/dbraw/zinc/24/86/10/1075248610.db2.gz XASWBSKZOOBOFN-SJORKVTESA-N -1 1 404.511 1.676 20 0 HDADMM CC(C)[C@@H]1c2ccccc2CCN1C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000675686641 1075254590 /nfs/dbraw/zinc/25/45/90/1075254590.db2.gz FJQNGANZPAYUCK-GOSISDBHSA-N -1 1 405.476 1.439 20 0 HDADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccn(CC(N)=O)n3)cc2)cc1 ZINC000617448541 1075309147 /nfs/dbraw/zinc/30/91/47/1075309147.db2.gz AWPWLNTUBYNPIM-UHFFFAOYSA-N -1 1 413.459 1.730 20 0 HDADMM CO[C@@H](C)CS(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 ZINC000509376790 1075324615 /nfs/dbraw/zinc/32/46/15/1075324615.db2.gz UDIPSGRJJRBJMW-LBPRGKRZSA-N -1 1 400.482 1.362 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)O[C@@H](C)C(=O)Nc1ccnn1C(C)C ZINC000731447091 1075342782 /nfs/dbraw/zinc/34/27/82/1075342782.db2.gz FGLWZAUBDQMXRO-ZDUSSCGKSA-N -1 1 400.439 1.942 20 0 HDADMM CCOc1cccc(CNC(=O)COC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000731448099 1075344612 /nfs/dbraw/zinc/34/46/12/1075344612.db2.gz WFBUBKXXEWSRJP-UHFFFAOYSA-N -1 1 412.446 1.853 20 0 HDADMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(NC(=O)C(N)=O)c3)cc(Cl)c2O1 ZINC000509389959 1075432730 /nfs/dbraw/zinc/43/27/30/1075432730.db2.gz GQEYEAIKFRPLDX-SECBINFHSA-N -1 1 409.851 1.888 20 0 HDADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CCN1CCOC[C@H]1C ZINC000509406696 1075519083 /nfs/dbraw/zinc/51/90/83/1075519083.db2.gz YCMNVONDFAENFV-SNVBAGLBSA-N -1 1 411.307 1.779 20 0 HDADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)Nc1ccc(-c2ccccc2)nn1 ZINC000466627855 1075519431 /nfs/dbraw/zinc/51/94/31/1075519431.db2.gz RGJSNFCIJFOJRG-UHFFFAOYSA-N -1 1 420.473 2.356 20 0 HDADMM Cc1c(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000731855481 1075537167 /nfs/dbraw/zinc/53/71/67/1075537167.db2.gz OZANDPDBQFLIDQ-AWEZNQCLSA-N -1 1 407.356 1.926 20 0 HDADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NCCn3ncnn3)cc2)c1C ZINC000676393638 1075541906 /nfs/dbraw/zinc/54/19/06/1075541906.db2.gz KMGFJCGVFLJOEV-UHFFFAOYSA-N -1 1 400.464 1.521 20 0 HDADMM Cc1ccc(C)c(S(=O)(=O)C2(C(=O)N3CCO[C@@H](c4nn[n-]n4)C3)CCCC2)c1 ZINC000731880505 1075551131 /nfs/dbraw/zinc/55/11/31/1075551131.db2.gz OHYORBXXNPGJKU-OAHLLOKOSA-N -1 1 419.507 1.503 20 0 HDADMM CC[C@@H](C(=O)N1CCO[C@@H](c2nn[n-]n2)C1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000731880749 1075551990 /nfs/dbraw/zinc/55/19/90/1075551990.db2.gz XQWRXAGZPULAPB-QWHCGFSZSA-N -1 1 403.834 1.058 20 0 HDADMM C[C@@H](CCO)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000676535782 1075578900 /nfs/dbraw/zinc/57/89/00/1075578900.db2.gz MYMWDOBDBMGHSF-ZDUSSCGKSA-N -1 1 406.460 1.759 20 0 HDADMM C[C@@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)C(=O)NCc1nn[n-]n1 ZINC000676551135 1075584155 /nfs/dbraw/zinc/58/41/55/1075584155.db2.gz FPXLNPMEDHSICM-QMMMGPOBSA-N -1 1 409.237 1.567 20 0 HDADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(CCO)CCc2ccccc2)c(F)c1 ZINC000676555408 1075587420 /nfs/dbraw/zinc/58/74/20/1075587420.db2.gz RAHZEZUMSPOZNJ-UHFFFAOYSA-N -1 1 416.496 1.423 20 0 HDADMM CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732088443 1075622070 /nfs/dbraw/zinc/62/20/70/1075622070.db2.gz BPPMPUGODXMPLN-UYAOXDASSA-N -1 1 422.489 1.636 20 0 HDADMM O=C([C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732089723 1075623182 /nfs/dbraw/zinc/62/31/82/1075623182.db2.gz CGNVMPZNTYIGMO-ZWNOBZJWSA-N -1 1 411.249 1.460 20 0 HDADMM Cc1c(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)cnn1-c1cccc(Br)c1 ZINC000732089577 1075623479 /nfs/dbraw/zinc/62/34/79/1075623479.db2.gz KCIOHDMOFBUDGZ-AWEZNQCLSA-N -1 1 418.255 1.670 20 0 HDADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCc3nnc(N)o3)cc2)cc1 ZINC000530381708 1075624963 /nfs/dbraw/zinc/62/49/63/1075624963.db2.gz PRBDNDCGRAQDTE-UHFFFAOYSA-N -1 1 403.420 1.391 20 0 HDADMM O=C(c1csc(-c2ccc3c(c2)OCCO3)n1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732090251 1075625190 /nfs/dbraw/zinc/62/51/90/1075625190.db2.gz QRVPSOKJQHKKCS-CQSZACIVSA-N -1 1 400.420 1.308 20 0 HDADMM Cc1ccc(C(=O)N[C@@H](CC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)c2ccccc2)cc1 ZINC000732091674 1075625654 /nfs/dbraw/zinc/62/56/54/1075625654.db2.gz MQJKQYITOOYVFM-RBUKOAKNSA-N -1 1 420.473 1.969 20 0 HDADMM CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732091717 1075626100 /nfs/dbraw/zinc/62/61/00/1075626100.db2.gz OCYLWAAPSOSOII-LSDHHAIUSA-N -1 1 406.874 1.598 20 0 HDADMM O=C(Cn1c(COc2ccccc2)nc2ccccc21)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732091260 1075627132 /nfs/dbraw/zinc/62/71/32/1075627132.db2.gz WXDRIUQMLLEMHV-SFHVURJKSA-N -1 1 419.445 1.729 20 0 HDADMM O=C(NCC(F)(F)F)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000072109572 1075677957 /nfs/dbraw/zinc/67/79/57/1075677957.db2.gz XMDMLLIANKTFIZ-UHFFFAOYSA-N -1 1 414.365 1.949 20 0 HDADMM Nc1ncc2c(n1)CCN(C(=O)c1ccc([N-]S(=O)(=O)c3ccccc3)cc1)C2 ZINC000567439530 1075731894 /nfs/dbraw/zinc/73/18/94/1075731894.db2.gz ITVQJJVIWFPHHG-UHFFFAOYSA-N -1 1 409.471 2.058 20 0 HDADMM CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@H]1C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000766153282 1075742946 /nfs/dbraw/zinc/74/29/46/1075742946.db2.gz XUUHWEYQBYRCEQ-MGPLVRAMSA-N -1 1 401.489 1.620 20 0 HDADMM CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@H]1C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000766153282 1075742952 /nfs/dbraw/zinc/74/29/52/1075742952.db2.gz XUUHWEYQBYRCEQ-MGPLVRAMSA-N -1 1 401.489 1.620 20 0 HDADMM CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000804232049 1075780971 /nfs/dbraw/zinc/78/09/71/1075780971.db2.gz DFYTVODEPXMQLX-ZDUSSCGKSA-N -1 1 401.485 1.709 20 0 HDADMM CCS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)[N-]C(=O)c2ccc(OC)cc2)c1 ZINC000732582071 1075795041 /nfs/dbraw/zinc/79/50/41/1075795041.db2.gz IWFOLKYOWGDZNB-UHFFFAOYSA-N -1 1 423.418 1.741 20 0 HDADMM CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc4c(c3)C(=O)NCC4)ccc2O1 ZINC000611028014 1075814130 /nfs/dbraw/zinc/81/41/30/1075814130.db2.gz SSYAFWPKNQSXGB-SFHVURJKSA-N -1 1 416.455 1.640 20 0 HDADMM O=C(N[C@]1(CO)CCOC1)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000543604413 1075834158 /nfs/dbraw/zinc/83/41/58/1075834158.db2.gz SVQNWAMRZZHSQX-SFHVURJKSA-N -1 1 412.414 1.647 20 0 HDADMM C[N-]S(=O)(=O)c1cc(C(=O)NCCCNc2ccc(C(F)(F)F)cn2)co1 ZINC000535896440 1075844622 /nfs/dbraw/zinc/84/46/22/1075844622.db2.gz PHTMTEZIAZHUKC-UHFFFAOYSA-N -1 1 406.386 1.834 20 0 HDADMM NS(=O)(=O)CCCCNc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1 ZINC000555208478 1075851159 /nfs/dbraw/zinc/85/11/59/1075851159.db2.gz KDQVQSHHEMGDGU-UHFFFAOYSA-N -1 1 420.463 1.641 20 0 HDADMM CCOC(=O)[C@H](CO)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000611288423 1075893151 /nfs/dbraw/zinc/89/31/51/1075893151.db2.gz PLAGVHIBWSITHV-SFHVURJKSA-N -1 1 420.487 1.758 20 0 HDADMM CCOC(=O)C1=C(NC(=O)C2CCS(=O)(=O)CC2)[N-]c2ccccc2N=C1C ZINC000732931251 1075919191 /nfs/dbraw/zinc/91/91/91/1075919191.db2.gz OXRDWWGUKLYIQI-UHFFFAOYSA-N -1 1 405.476 1.920 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)NC1(c2cccc(Br)c2)CCOCC1 ZINC000733141286 1075974114 /nfs/dbraw/zinc/97/41/14/1075974114.db2.gz FLADFKBDVMQBRG-UHFFFAOYSA-N -1 1 422.279 1.511 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1 ZINC000733134182 1075981233 /nfs/dbraw/zinc/98/12/33/1075981233.db2.gz WERQZQZVZSCMKD-UHFFFAOYSA-N -1 1 408.414 1.583 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCC(c2nc(-c3ccncc3)cs2)CC1 ZINC000733154745 1075988113 /nfs/dbraw/zinc/98/81/13/1075988113.db2.gz HHZHHGODZZJJSF-UHFFFAOYSA-N -1 1 411.487 1.851 20 0 HDADMM CCN(CC(=O)NC)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000733163298 1075997030 /nfs/dbraw/zinc/99/70/30/1075997030.db2.gz HBPOYBPTIFYDRI-UHFFFAOYSA-N -1 1 411.430 1.974 20 0 HDADMM C[C@H](O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OCc3nnnn3C)cc2)cc1 ZINC000733378605 1076062692 /nfs/dbraw/zinc/06/26/92/1076062692.db2.gz XULKPVPZWMCUKB-LBPRGKRZSA-N -1 1 417.447 1.421 20 0 HDADMM Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000733516535 1076093342 /nfs/dbraw/zinc/09/33/42/1076093342.db2.gz NHEUXXBKHVNWGR-KRWDZBQOSA-N -1 1 411.393 1.404 20 0 HDADMM COC(=O)Nc1cc([N-]S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)ccc1F ZINC000727361251 1076098551 /nfs/dbraw/zinc/09/85/51/1076098551.db2.gz WBSUEAPLLAONMR-UHFFFAOYSA-N -1 1 408.411 1.995 20 0 HDADMM O=Cc1cccc(OCC(=O)OCC(=O)[N-]C(=O)c2ccc(OC(F)F)cc2)c1 ZINC000733593539 1076119805 /nfs/dbraw/zinc/11/98/05/1076119805.db2.gz CHHVMOOUBMPFER-UHFFFAOYSA-N -1 1 407.325 1.979 20 0 HDADMM COC(=O)C[C@@H]([N-]S(=O)(=O)/C=C/c1cccc(Br)c1)C(=O)OC ZINC000727445307 1076124101 /nfs/dbraw/zinc/12/41/01/1076124101.db2.gz XXZVCDOAXVDCEU-NNNHXZLVSA-N -1 1 406.254 1.444 20 0 HDADMM COc1ccc(NC(=O)Cc2csc(-c3nc[nH]n3)n2)cc1[N-]S(C)(=O)=O ZINC000727767300 1076219974 /nfs/dbraw/zinc/21/99/74/1076219974.db2.gz UNDBPXKIVRQFHH-UHFFFAOYSA-N -1 1 408.465 1.490 20 0 HDADMM COC(=O)C[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)c1ccc(Br)cc1 ZINC000727849466 1076270792 /nfs/dbraw/zinc/27/07/92/1076270792.db2.gz ZVDOTZOLJRZSRR-ZDUSSCGKSA-N -1 1 424.251 1.110 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000727849320 1076270907 /nfs/dbraw/zinc/27/09/07/1076270907.db2.gz DUILTMFNXPEBQZ-RKDXNWHRSA-N -1 1 401.307 1.952 20 0 HDADMM Cc1ccc(CNC(=O)c2cccc(CNC(=O)CCn3cc[n-]c(=O)c3=O)c2)cc1 ZINC000727849817 1076271160 /nfs/dbraw/zinc/27/11/60/1076271160.db2.gz LUPMXUKHJHKFPU-UHFFFAOYSA-N -1 1 420.469 1.482 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1 ZINC000727852460 1076271614 /nfs/dbraw/zinc/27/16/14/1076271614.db2.gz VWFUNPCRWMUHGF-UHFFFAOYSA-N -1 1 410.405 1.886 20 0 HDADMM CN(C(=O)Cc1ccc(NC(=O)CCn2cc[n-]c(=O)c2=O)cc1)c1ccccc1 ZINC000727852548 1076271699 /nfs/dbraw/zinc/27/16/99/1076271699.db2.gz XWPZCZGQIYDSDJ-UHFFFAOYSA-N -1 1 406.442 1.771 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000727853013 1076272464 /nfs/dbraw/zinc/27/24/64/1076272464.db2.gz DQHPTBBNOXQSOO-CQSZACIVSA-N -1 1 408.252 1.289 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000727853893 1076273156 /nfs/dbraw/zinc/27/31/56/1076273156.db2.gz SUMFHUDZOQANLF-AWEZNQCLSA-N -1 1 408.252 1.289 20 0 HDADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000730229481 1076486497 /nfs/dbraw/zinc/48/64/97/1076486497.db2.gz CIJNHXPJJAISHS-OAHLLOKOSA-N -1 1 413.478 1.808 20 0 HDADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)[C@H]2CSCN2C(=O)C(C)(C)C)cc1 ZINC000730324030 1076539706 /nfs/dbraw/zinc/53/97/06/1076539706.db2.gz SKNFNOASYZQUGG-CQSZACIVSA-N -1 1 408.476 1.442 20 0 HDADMM C[C@@H](OC(=O)c1ccc(Cl)c(Cl)c1[O-])C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000730361181 1076550859 /nfs/dbraw/zinc/55/08/59/1076550859.db2.gz YRNJGTFOGFQXFK-RKDXNWHRSA-N -1 1 410.275 1.890 20 0 HDADMM CC1CCN([C@H](CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c2cccs2)CC1 ZINC000730517757 1076584596 /nfs/dbraw/zinc/58/45/96/1076584596.db2.gz SHSPLWKAWIIUON-OAHLLOKOSA-N -1 1 400.508 1.722 20 0 HDADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2nccn2C)c2cccc(OC)c2)o1 ZINC000730812130 1076667391 /nfs/dbraw/zinc/66/73/91/1076667391.db2.gz PNPIMYOPWLHEQD-INIZCTEOSA-N -1 1 405.432 1.876 20 0 HDADMM COC(=O)[C@](C)([N-]S(=O)(=O)c1cn(C)cn1)c1cccc(Br)c1 ZINC000731041363 1076716709 /nfs/dbraw/zinc/71/67/09/1076716709.db2.gz WPGADXJLQLRSLQ-CQSZACIVSA-N -1 1 402.270 1.549 20 0 HDADMM O=C(COC(=O)c1sccc1S(=O)(=O)C(F)F)[N-]C(=O)c1ccccc1 ZINC000731094132 1076724814 /nfs/dbraw/zinc/72/48/14/1076724814.db2.gz OHVCLVMACWBVNS-UHFFFAOYSA-N -1 1 403.384 1.858 20 0 HDADMM CC[C@](NC(=O)c1nc(C)n(-c2nnc(C(F)(F)F)[nH]2)n1)(C(=O)[O-])c1ccccc1 ZINC000485354017 939225084 /nfs/dbraw/zinc/22/50/84/939225084.db2.gz GSGMHPQSOQDLJA-MRXNPFEDSA-N -1 1 423.355 1.833 20 0 HDADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1C(C)(C)C)C2 ZINC001004669214 1073522924 /nfs/dbraw/zinc/52/29/24/1073522924.db2.gz MXFKHNSHLCITNO-VEGXAWMVSA-N -1 1 404.467 1.440 20 0 HDADMM CC(C)(C)Oc1ccc(CNC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)cc1 ZINC000673648418 1073534801 /nfs/dbraw/zinc/53/48/01/1073534801.db2.gz COMHRYRDUILGJG-UHFFFAOYSA-N -1 1 409.464 1.151 20 0 HDADMM C[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cc(F)c(Cl)cc1Cl ZINC000015330314 1073603062 /nfs/dbraw/zinc/60/30/62/1073603062.db2.gz DLBZEWJIPFBHHK-SSDOTTSWSA-N -1 1 410.254 1.569 20 0 HDADMM O=C(Cn1cc(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)cn1)NC1CCCCC1 ZINC000673755994 1073691348 /nfs/dbraw/zinc/69/13/48/1073691348.db2.gz GMHMNARIJUGQCQ-GOSISDBHSA-N -1 1 408.466 1.365 20 0 HDADMM COCCOc1ccccc1NS(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000057125970 1073793465 /nfs/dbraw/zinc/79/34/65/1073793465.db2.gz NGEBIRUABGSKIM-UHFFFAOYSA-N -1 1 409.416 1.982 20 0 HDADMM CCCC(=O)NC1CCN(C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)CC1 ZINC000673859283 1073827208 /nfs/dbraw/zinc/82/72/08/1073827208.db2.gz FPQXDPDJDGFTIZ-UHFFFAOYSA-N -1 1 412.512 1.979 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@@H]3CCCC[C@H]13)C2 ZINC001005051948 1074005199 /nfs/dbraw/zinc/00/51/99/1074005199.db2.gz AZFPRQOHCIQHDR-ZKZVPCBQSA-N -1 1 414.506 1.001 20 0 HDADMM COc1cccc(-c2nc(=NC(=O)C(=O)N[C@@H](C)CN3CCCCC3)s[n-]2)c1 ZINC000543532834 1074031903 /nfs/dbraw/zinc/03/19/03/1074031903.db2.gz NYIVNHFJQWAAFV-ZDUSSCGKSA-N -1 1 403.508 1.565 20 0 HDADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CCN(CCO)CC3)c2)c1 ZINC000674323807 1074273271 /nfs/dbraw/zinc/27/32/71/1074273271.db2.gz RMERYVRXBGYEEC-UHFFFAOYSA-N -1 1 417.531 1.854 20 0 HDADMM COCCn1cc(S(=O)(=O)[N-]c2ccccc2CN2CCC[C@@H](C(N)=O)C2)cn1 ZINC000509231670 1074484306 /nfs/dbraw/zinc/48/43/06/1074484306.db2.gz GNYIOIOLYXICGP-MRXNPFEDSA-N -1 1 421.523 1.028 20 0 HDADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@H](O)C[C@H](O)C3)cc2)c1 ZINC000674806646 1074572023 /nfs/dbraw/zinc/57/20/23/1074572023.db2.gz NLSGXUIHGYUICU-HDICACEKSA-N -1 1 404.488 1.672 20 0 HDADMM COc1c(C)cnc(Cn2cnc([N-]C(=O)c3cc(Cn4cccn4)on3)n2)c1C ZINC000509236659 1074581007 /nfs/dbraw/zinc/58/10/07/1074581007.db2.gz SBCSNOHDFOPNID-UHFFFAOYSA-N -1 1 408.422 1.832 20 0 HDADMM O=C(CNC(=O)c1ccccc1C(F)(F)F)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000674843544 1074590587 /nfs/dbraw/zinc/59/05/87/1074590587.db2.gz UKDRFLSSXNDDLK-HNNXBMFYSA-N -1 1 404.352 1.854 20 0 HDADMM O=C(CNC(=O)c1ccccc1C(F)(F)F)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000674843545 1074590681 /nfs/dbraw/zinc/59/06/81/1074590681.db2.gz UKDRFLSSXNDDLK-OAHLLOKOSA-N -1 1 404.352 1.854 20 0 HDADMM COc1ccc(NC(=O)N2CCC(Cn3cncn3)CC2)cc1[N-]S(C)(=O)=O ZINC000429319220 1074733225 /nfs/dbraw/zinc/73/32/25/1074733225.db2.gz UDDCWUSSHGBEQB-UHFFFAOYSA-N -1 1 408.484 1.602 20 0 HDADMM CC(C)CC(=O)NCCC(=O)N1CCC([C@@H]2OCC[C@H]2[N-]C(=O)C(F)(F)F)CC1 ZINC001128973725 1074773342 /nfs/dbraw/zinc/77/33/42/1074773342.db2.gz KZIAZOFEFMIEAW-PBHICJAKSA-N -1 1 421.460 1.613 20 0 HDADMM COc1ccc(S(=O)(=O)[N-]c2cccc(-n3nnnc3C)c2)cc1NC(C)=O ZINC000041616183 1075117536 /nfs/dbraw/zinc/11/75/36/1075117536.db2.gz NUQKTGJACFUJDB-UHFFFAOYSA-N -1 1 402.436 1.739 20 0 HDADMM COC(=O)c1coc(S(=O)(=O)[N-]c2ccccc2CN2CCC[C@@H](C(N)=O)C2)c1 ZINC000509244984 1075123190 /nfs/dbraw/zinc/12/31/90/1075123190.db2.gz BMDPJIPSSCEZFF-CQSZACIVSA-N -1 1 421.475 1.564 20 0 HDADMM COc1ccc(NC(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)cc1[N-]S(C)(=O)=O ZINC000675569163 1075207845 /nfs/dbraw/zinc/20/78/45/1075207845.db2.gz MNDDSKKLMGRMMI-HNNXBMFYSA-N -1 1 424.523 1.979 20 0 HDADMM Cc1ccc(-n2nc(C(=O)Nc3n[n-]c(S(C)(=O)=O)n3)c3c2CCC3)c(C)c1 ZINC000519333577 1075267836 /nfs/dbraw/zinc/26/78/36/1075267836.db2.gz AHEFPCXWZGQNRO-UHFFFAOYSA-N -1 1 400.464 1.752 20 0 HDADMM Cc1ccc(-n2nc(C(=O)Nc3nc(S(C)(=O)=O)n[n-]3)c3c2CCC3)c(C)c1 ZINC000519333577 1075267837 /nfs/dbraw/zinc/26/78/37/1075267837.db2.gz AHEFPCXWZGQNRO-UHFFFAOYSA-N -1 1 400.464 1.752 20 0 HDADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)cc1 ZINC000026153886 1075268307 /nfs/dbraw/zinc/26/83/07/1075268307.db2.gz JXSVDNOXQMBUGA-UHFFFAOYSA-N -1 1 409.489 1.887 20 0 HDADMM O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc(NCCc2nnc3n2CCC3)nc1 ZINC000436196510 1075282798 /nfs/dbraw/zinc/28/27/98/1075282798.db2.gz HSLMRKNYBMGFEQ-UHFFFAOYSA-N -1 1 420.445 2.353 20 0 HDADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C(N)=O)c2)cc1Br ZINC000509378364 1075329659 /nfs/dbraw/zinc/32/96/59/1075329659.db2.gz KJEYZHQQYCCUJC-UHFFFAOYSA-N -1 1 412.265 1.982 20 0 HDADMM C[C@H](C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)S(=O)(=O)C1CCOCC1 ZINC000676035417 1075331615 /nfs/dbraw/zinc/33/16/15/1075331615.db2.gz QMQXFGPVAKHXGK-CQSZACIVSA-N -1 1 409.504 1.796 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)O[C@H](C)C(=O)NCc1ccc(F)cc1 ZINC000731447242 1075344077 /nfs/dbraw/zinc/34/40/77/1075344077.db2.gz SFFBEPDFDWTSQC-CYBMUJFWSA-N -1 1 400.410 1.981 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)O[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000731448098 1075344450 /nfs/dbraw/zinc/34/44/50/1075344450.db2.gz WEMVHTLGGKUEDS-ZDUSSCGKSA-N -1 1 423.429 1.511 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCC(=O)NC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000731447786 1075345572 /nfs/dbraw/zinc/34/55/72/1075345572.db2.gz LCITXLSOLXBYTC-XHDPSFHLSA-N -1 1 417.466 1.542 20 0 HDADMM COc1cccc(C([O-])=C2[C@@H](c3csnn3)NC(=S)N[C@]2(O)C(F)(F)F)c1 ZINC000731427711 1075348146 /nfs/dbraw/zinc/34/81/46/1075348146.db2.gz QOACDXWPDVSLNZ-MISXGVKJSA-N -1 1 418.422 1.816 20 0 HDADMM NC(=O)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)c1 ZINC000509388546 1075427052 /nfs/dbraw/zinc/42/70/52/1075427052.db2.gz YLLSBPHDQWHQHL-UHFFFAOYSA-N -1 1 416.228 1.813 20 0 HDADMM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1cccc(NC(=O)C(N)=O)c1 ZINC000509391846 1075440555 /nfs/dbraw/zinc/44/05/55/1075440555.db2.gz LZVILRZTYJQLPR-UHFFFAOYSA-N -1 1 412.265 1.982 20 0 HDADMM C[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)[C@@H]1CN(C)CCO1 ZINC000676256922 1075451682 /nfs/dbraw/zinc/45/16/82/1075451682.db2.gz JAMMHHXAVDBBEP-BEFAXECRSA-N -1 1 403.504 1.936 20 0 HDADMM CS(=O)(=O)N1CCc2c1cccc2[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000543664423 1075452085 /nfs/dbraw/zinc/45/20/85/1075452085.db2.gz WUVWLQZQEYERCZ-UHFFFAOYSA-N -1 1 407.473 1.304 20 0 HDADMM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(NC(=O)C(N)=O)c1 ZINC000509396685 1075474400 /nfs/dbraw/zinc/47/44/00/1075474400.db2.gz MITAFRQKKVGJNA-UHFFFAOYSA-N -1 1 412.265 1.982 20 0 HDADMM CCS(=O)(=O)NCCOC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000731696153 1075474893 /nfs/dbraw/zinc/47/48/93/1075474893.db2.gz KFFKYHAKRXIXRB-UHFFFAOYSA-N -1 1 412.489 1.584 20 0 HDADMM Cc1nc(-c2ccc(NCCS(=O)(=O)N3CCSCC3)nc2)[n-]c(=O)c1C ZINC000462817718 1075509835 /nfs/dbraw/zinc/50/98/35/1075509835.db2.gz UJLKSBUYRNVHSX-UHFFFAOYSA-N -1 1 409.537 1.652 20 0 HDADMM C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000676337894 1075512081 /nfs/dbraw/zinc/51/20/81/1075512081.db2.gz GUWILMWZJWNGCC-MLGOLLRUSA-N -1 1 403.439 1.654 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCC[C@H]1C(=O)NCc1ccco1 ZINC000509407372 1075517130 /nfs/dbraw/zinc/51/71/30/1075517130.db2.gz YZKITHFVOKGQDS-KRWDZBQOSA-N -1 1 411.462 1.885 20 0 HDADMM CCNS(=O)(=O)CCNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000731835187 1075542854 /nfs/dbraw/zinc/54/28/54/1075542854.db2.gz SKZZQHQTGQJGIH-QGZVFWFLSA-N -1 1 419.503 1.206 20 0 HDADMM NC(=O)C1(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CCOCC1 ZINC000676398852 1075543594 /nfs/dbraw/zinc/54/35/94/1075543594.db2.gz JXGOFNWRUHTXJH-UHFFFAOYSA-N -1 1 403.460 1.252 20 0 HDADMM O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000731880822 1075551982 /nfs/dbraw/zinc/55/19/82/1075551982.db2.gz YKIKDATXOUASOO-LLVKDONJSA-N -1 1 407.843 1.595 20 0 HDADMM COC[C@@H](O)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1 ZINC000676532962 1075577565 /nfs/dbraw/zinc/57/75/65/1075577565.db2.gz BHQGFPRVDSJRIO-KRWDZBQOSA-N -1 1 406.460 1.427 20 0 HDADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)OCC(=O)NC1CCCCC1 ZINC000732033136 1075591756 /nfs/dbraw/zinc/59/17/56/1075591756.db2.gz NJJJZQSRPNNPTN-UHFFFAOYSA-N -1 1 406.483 1.252 20 0 HDADMM C=CC(=O)NCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000732101285 1075613380 /nfs/dbraw/zinc/61/33/80/1075613380.db2.gz AEQZBWCOEORDHF-UHFFFAOYSA-N -1 1 409.414 1.798 20 0 HDADMM CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732088440 1075622159 /nfs/dbraw/zinc/62/21/59/1075622159.db2.gz BPPMPUGODXMPLN-AZUAARDMSA-N -1 1 422.489 1.636 20 0 HDADMM O=C([C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732089722 1075623052 /nfs/dbraw/zinc/62/30/52/1075623052.db2.gz CGNVMPZNTYIGMO-MFKMUULPSA-N -1 1 411.249 1.460 20 0 HDADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(cnn3C(F)F)c2)o1 ZINC000676625791 1075623979 /nfs/dbraw/zinc/62/39/79/1075623979.db2.gz ONQNLMWSYMOWJW-UHFFFAOYSA-N -1 1 413.362 1.040 20 0 HDADMM Cc1ccc2nc(COc3ccccc3C(=O)N3CCO[C@@H](c4nn[n-]n4)C3)cn2c1 ZINC000732090456 1075625241 /nfs/dbraw/zinc/62/52/41/1075625241.db2.gz JYWQQADXAJSABX-GOSISDBHSA-N -1 1 419.445 1.949 20 0 HDADMM O=C(N[C@H](Cc1ccccc1)C(=O)N1CCO[C@@H](c2nn[n-]n2)C1)c1ccccc1 ZINC000732090954 1075625297 /nfs/dbraw/zinc/62/52/97/1075625297.db2.gz WPDBEQNORNSOKA-QZTJIDSGSA-N -1 1 406.446 1.141 20 0 HDADMM Cc1sc2nc(C)nc(SCC(=O)N3CCO[C@H](c4nn[n-]n4)C3)c2c1C ZINC000732091683 1075625666 /nfs/dbraw/zinc/62/56/66/1075625666.db2.gz MUCVUXLGAFRGOR-NSHDSACASA-N -1 1 405.509 1.822 20 0 HDADMM O=C(CC1(CC(=O)N2CCO[C@H](c3nn[n-]n3)C2)CCCCC1)Nc1nccs1 ZINC000732091767 1075626087 /nfs/dbraw/zinc/62/60/87/1075626087.db2.gz PWRHGSTZRUOXEH-ZDUSSCGKSA-N -1 1 419.511 1.926 20 0 HDADMM O=C(OCc1ccccc1)N1CCCC[C@H]1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732091497 1075626993 /nfs/dbraw/zinc/62/69/93/1075626993.db2.gz GPRJPMSKJPOHHC-JKSUJKDBSA-N -1 1 400.439 1.291 20 0 HDADMM CN(C)[C@@H](CNS(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2)Cc1ccccc1 ZINC000507022269 1075676643 /nfs/dbraw/zinc/67/66/43/1075676643.db2.gz NGVHKMPIGXEDDT-OAHLLOKOSA-N -1 1 420.487 1.607 20 0 HDADMM O=C([O-])COc1ccc(S(=O)(=O)NCCCN2CCc3ccccc3C2)cc1 ZINC000507395155 1075677924 /nfs/dbraw/zinc/67/79/24/1075677924.db2.gz XFIGQVWKMFKASQ-UHFFFAOYSA-N -1 1 404.488 1.877 20 0 HDADMM COc1cccc([C@H](O)CNC(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)c1 ZINC000732295304 1075691843 /nfs/dbraw/zinc/69/18/43/1075691843.db2.gz CLYGRKZQUHLTAK-GOSISDBHSA-N -1 1 416.478 1.118 20 0 HDADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCCc3nnc(N)o3)c2)c1 ZINC000552185770 1075715807 /nfs/dbraw/zinc/71/58/07/1075715807.db2.gz BEWGBOFQMMUUHN-UHFFFAOYSA-N -1 1 415.475 2.042 20 0 HDADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N(C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732787769 1075857540 /nfs/dbraw/zinc/85/75/40/1075857540.db2.gz LSAJHLUVMDTOBH-AWEZNQCLSA-N -1 1 423.395 1.304 20 0 HDADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](C(=O)OC)C(C)C)c(OC)c1 ZINC000611182551 1075868854 /nfs/dbraw/zinc/86/88/54/1075868854.db2.gz DRNCSISLLKAMSV-HNNXBMFYSA-N -1 1 422.525 1.323 20 0 HDADMM COC(=O)Cc1c(C(=O)OC)sc2[n-]c(CN3CC[C@H](C(F)F)C3)nc(=O)c12 ZINC000611180624 1075868958 /nfs/dbraw/zinc/86/89/58/1075868958.db2.gz ZZGOFLYAGUZJLH-QMMMGPOBSA-N -1 1 415.418 1.574 20 0 HDADMM CSCC[C@@H](C(=O)N1CCC[C@@H](c2nn[n-]n2)C1)N1C(=O)c2ccccc2C1=O ZINC000611215193 1075878051 /nfs/dbraw/zinc/87/80/51/1075878051.db2.gz XGEOWEDKRCRWNU-DOMZBBRYSA-N -1 1 414.491 1.324 20 0 HDADMM CCOC(=O)[C@H](CO)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000611288376 1075892913 /nfs/dbraw/zinc/89/29/13/1075892913.db2.gz MHHUNLYVUPBUCN-INIZCTEOSA-N -1 1 410.423 1.280 20 0 HDADMM COC(=O)C(C)(C)[C@@H]1CCCN([C@H]2CC(=O)N(Cc3ccc(C(=O)[O-])cc3)C2=O)C1 ZINC000611304577 1075896259 /nfs/dbraw/zinc/89/62/59/1075896259.db2.gz HWUNTSQRPFRNMC-SJORKVTESA-N -1 1 416.474 1.924 20 0 HDADMM O=S(=O)([N-]CC1CCN(S(=O)(=O)C(F)F)CC1)c1ccc(F)c(F)c1F ZINC000732986125 1075939754 /nfs/dbraw/zinc/93/97/54/1075939754.db2.gz QQLHCMMDBSDEKH-UHFFFAOYSA-N -1 1 422.397 1.647 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)Nc1ccc(C(=O)NCc2ccccc2F)cc1 ZINC000733131220 1075980571 /nfs/dbraw/zinc/98/05/71/1075980571.db2.gz BTLSKWZUQCYVMO-UHFFFAOYSA-N -1 1 410.405 1.635 20 0 HDADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)C2=NN(c3ccccc3)[C@@H](C(C)=O)C2)cc1 ZINC000733538655 1076089448 /nfs/dbraw/zinc/08/94/48/1076089448.db2.gz HENUVLSXZDTDET-LJQANCHMSA-N -1 1 423.425 1.719 20 0 HDADMM CN(CCc1ccccn1)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000727462234 1076134760 /nfs/dbraw/zinc/13/47/60/1076134760.db2.gz RTJAGFGNPPJDNA-UHFFFAOYSA-N -1 1 403.291 1.763 20 0 HDADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)C[C@H](C)NC(=O)C2CCCCC2)cc1 ZINC000727533334 1076170253 /nfs/dbraw/zinc/17/02/53/1076170253.db2.gz DQIPEOPYRLESDI-AWEZNQCLSA-N -1 1 404.463 1.970 20 0 HDADMM Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)CCn1cc[n-]c(=O)c1=O ZINC000727754952 1076229160 /nfs/dbraw/zinc/22/91/60/1076229160.db2.gz JJVYNQNNAVUQOX-GJZGRUSLSA-N -1 1 412.490 1.992 20 0 HDADMM Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)CCn1cc[n-]c(=O)c1=O ZINC000727754954 1076229278 /nfs/dbraw/zinc/22/92/78/1076229278.db2.gz JJVYNQNNAVUQOX-HUUCEWRRSA-N -1 1 412.490 1.992 20 0 HDADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)c1 ZINC000535648739 1076253006 /nfs/dbraw/zinc/25/30/06/1076253006.db2.gz NLLPJKIZXMESLB-ZWKOTPCHSA-N -1 1 417.531 1.732 20 0 HDADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)c1 ZINC000535648738 1076253092 /nfs/dbraw/zinc/25/30/92/1076253092.db2.gz NLLPJKIZXMESLB-ROUUACIJSA-N -1 1 417.531 1.732 20 0 HDADMM COc1cccc(OC)c1OC1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)CC1 ZINC000727851232 1076271458 /nfs/dbraw/zinc/27/14/58/1076271458.db2.gz JBTOISZGJIQCAN-UHFFFAOYSA-N -1 1 403.435 1.014 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000727853610 1076272083 /nfs/dbraw/zinc/27/20/83/1076272083.db2.gz ORELZIPYOWCVNH-AWEZNQCLSA-N -1 1 413.409 1.522 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)NCc1cccc(Cn2cnc3ccccc32)c1 ZINC000727852914 1076272772 /nfs/dbraw/zinc/27/27/72/1076272772.db2.gz JKPLYIPTZYAALD-UHFFFAOYSA-N -1 1 403.442 1.641 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000727853895 1076273028 /nfs/dbraw/zinc/27/30/28/1076273028.db2.gz SUMFHUDZOQANLF-CQSZACIVSA-N -1 1 408.252 1.289 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1nn(-c2ccc(F)cc2)ccc1=O ZINC000733983503 1076282999 /nfs/dbraw/zinc/28/29/99/1076282999.db2.gz ONRYCXCKDVARRU-UHFFFAOYSA-N -1 1 408.393 1.667 20 0 HDADMM COc1cccc(Cn2c3ccccc3nc2NC(=O)CCn2cc[n-]c(=O)c2=O)c1 ZINC000728081850 1076335011 /nfs/dbraw/zinc/33/50/11/1076335011.db2.gz CNQMPGPKGWOYEC-UHFFFAOYSA-N -1 1 419.441 1.972 20 0 HDADMM O=C(CSc1nnnn1CC(F)(F)F)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000730050957 1076425575 /nfs/dbraw/zinc/42/55/75/1076425575.db2.gz HSFCYJDPVXRXGP-UHFFFAOYSA-N -1 1 416.337 1.883 20 0 HDADMM NS(=O)(=O)c1ccc(=N[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)[nH]c1 ZINC000730513775 1076583801 /nfs/dbraw/zinc/58/38/01/1076583801.db2.gz ZHIMQSFJSFSQQD-UHFFFAOYSA-N -1 1 411.490 1.158 20 0 HDADMM COC(=O)c1ccc(S(=O)(=O)[N-]CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)o1 ZINC000730814500 1076668222 /nfs/dbraw/zinc/66/82/22/1076668222.db2.gz SKTJXBNRELYVSC-GFCCVEGCSA-N -1 1 402.469 1.992 20 0 HDADMM O=C([O-])[C@H](NC(=O)NCCCCN1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000780550715 939132538 /nfs/dbraw/zinc/13/25/38/939132538.db2.gz BKGOTDCCTUYDGR-GOSISDBHSA-N -1 1 412.494 1.504 20 0 HDADMM C[C@](NC(=O)N[C@H]1CCCc2cn[nH]c21)(C(=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000797725992 939188861 /nfs/dbraw/zinc/18/88/61/939188861.db2.gz XPOOXZUKSNVZIA-KBXCAEBGSA-N -1 1 406.464 1.490 20 0 HDADMM Cc1nc(C(=O)N[C@@]2(C(=O)[O-])CCc3ccccc32)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000675989447 939867040 /nfs/dbraw/zinc/86/70/40/939867040.db2.gz QMYDKCAZACNGGN-INIZCTEOSA-N -1 1 421.339 1.369 20 0 HDADMM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1cc(C(=O)NCCC(N)=O)ccc1F ZINC000509074182 1073467653 /nfs/dbraw/zinc/46/76/53/1073467653.db2.gz HITOPZWFFOEAAB-UHFFFAOYSA-N -1 1 423.466 1.857 20 0 HDADMM CCNC(=O)CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)cc1 ZINC000509091793 1073509474 /nfs/dbraw/zinc/50/94/74/1073509474.db2.gz CCKNGSNNIWIMQE-UHFFFAOYSA-N -1 1 421.475 1.969 20 0 HDADMM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(S(N)(=O)=O)cc3)ccc21 ZINC000015243074 1073532279 /nfs/dbraw/zinc/53/22/79/1073532279.db2.gz AUUXVZOSIMFXPH-UHFFFAOYSA-N -1 1 409.489 1.434 20 0 HDADMM COc1cccc(CN(CC(C)C)C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)c1 ZINC000673651479 1073553716 /nfs/dbraw/zinc/55/37/16/1073553716.db2.gz ONPVBEZPZGVITB-UHFFFAOYSA-N -1 1 423.491 1.350 20 0 HDADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@@H](OC)C(=O)OC(C)(C)C)c2)n1 ZINC001128518966 1073554411 /nfs/dbraw/zinc/55/44/11/1073554411.db2.gz FUXZXORXJOEERG-CQSZACIVSA-N -1 1 418.450 1.621 20 0 HDADMM CCCCN(C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)[C@@H](C)c1ccc(C)o1 ZINC000673651672 1073566630 /nfs/dbraw/zinc/56/66/30/1073566630.db2.gz VJINRBNRHXBIIZ-ZDUSSCGKSA-N -1 1 411.480 1.948 20 0 HDADMM C[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1)C(C)(C)O ZINC000673690765 1073635453 /nfs/dbraw/zinc/63/54/53/1073635453.db2.gz OZLBQCGTGNVEDE-LLVKDONJSA-N -1 1 418.475 1.959 20 0 HDADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)o1 ZINC000509129858 1073678108 /nfs/dbraw/zinc/67/81/08/1073678108.db2.gz MXVRWPUKOVHMHA-AWEZNQCLSA-N -1 1 405.476 1.409 20 0 HDADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NCCC(=O)OCc1ccccc1 ZINC000766032346 1073761893 /nfs/dbraw/zinc/76/18/93/1073761893.db2.gz HREHSNSCVOBZED-UHFFFAOYSA-N -1 1 406.442 1.933 20 0 HDADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3ccc(C(=O)OC)n3C)c2)n1 ZINC000509224956 1074291616 /nfs/dbraw/zinc/29/16/16/1074291616.db2.gz KAARUIJDCIVQOC-UHFFFAOYSA-N -1 1 411.418 1.704 20 0 HDADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2C[C@H](O)C[C@H](O)C2)c1 ZINC000674806922 1074573446 /nfs/dbraw/zinc/57/34/46/1074573446.db2.gz OWXURFXPRZOSOI-IYBDPMFKSA-N -1 1 404.488 1.672 20 0 HDADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2C(C)(C)C)o1 ZINC001128896209 1074646218 /nfs/dbraw/zinc/64/62/18/1074646218.db2.gz MCURZVWKLHVNDE-ZDUSSCGKSA-N -1 1 420.553 1.642 20 0 HDADMM CCOC(=O)c1c[n-]c(NC(=O)[C@H]2CCCN(C(=O)COc3ccccc3)C2)n1 ZINC001128945792 1074719107 /nfs/dbraw/zinc/71/91/07/1074719107.db2.gz BFGVEYDJVISDQN-AWEZNQCLSA-N -1 1 400.435 1.843 20 0 HDADMM C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)c2)C[C@H]1O ZINC000509310935 1074732049 /nfs/dbraw/zinc/73/20/49/1074732049.db2.gz RRKBXYXVELVKBR-MLGOLLRUSA-N -1 1 404.444 1.669 20 0 HDADMM COCCO[C@@H]1CCCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000509316999 1074774210 /nfs/dbraw/zinc/77/42/10/1074774210.db2.gz NLCSGCQEUOZRFN-CYBMUJFWSA-N -1 1 410.489 1.013 20 0 HDADMM Cc1sc(C(N)=O)cc1NS(=O)(=O)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1 ZINC000675277902 1074783994 /nfs/dbraw/zinc/78/39/94/1074783994.db2.gz RZLAWPGYELBTKX-SNVBAGLBSA-N -1 1 423.472 1.394 20 0 HDADMM Cc1sc(C(N)=O)cc1[N-]C(=O)c1sccc1S(=O)(=O)N1CCOCC1 ZINC000675278683 1074784298 /nfs/dbraw/zinc/78/42/98/1074784298.db2.gz OPRPPYANFDCIDL-UHFFFAOYSA-N -1 1 415.518 1.490 20 0 HDADMM NC(=O)CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000041616085 1075117402 /nfs/dbraw/zinc/11/74/02/1075117402.db2.gz WSYPQRWDFNZVFP-UHFFFAOYSA-N -1 1 401.366 1.721 20 0 HDADMM COC(=O)c1coc(S(=O)(=O)[N-]c2ccccc2CN2CCC[C@H](C(N)=O)C2)c1 ZINC000509244982 1075123238 /nfs/dbraw/zinc/12/32/38/1075123238.db2.gz BMDPJIPSSCEZFF-AWEZNQCLSA-N -1 1 421.475 1.564 20 0 HDADMM O=C(NCC1(CO)CC1)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC000675611763 1075245519 /nfs/dbraw/zinc/24/55/19/1075245519.db2.gz JNFBSTSGPITCPZ-UHFFFAOYSA-N -1 1 404.444 1.718 20 0 HDADMM O=C(NCC1(CO)CC1)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000675611563 1075245564 /nfs/dbraw/zinc/24/55/64/1075245564.db2.gz CUOUMIMYMHDKLY-UHFFFAOYSA-N -1 1 416.459 1.572 20 0 HDADMM O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc(NCCC2(O)CCOCC2)nc1 ZINC000553260831 1075282512 /nfs/dbraw/zinc/28/25/12/1075282512.db2.gz DDHZCCRCJWBLCY-UHFFFAOYSA-N -1 1 413.446 2.504 20 0 HDADMM CCOC(=O)c1cc(NC(=O)c2sc(-c3c(C)c(C)nn(C)c3=O)nc2C)n[n-]1 ZINC000543762502 1075299279 /nfs/dbraw/zinc/29/92/79/1075299279.db2.gz WHHYJEMRWMNQCQ-UHFFFAOYSA-N -1 1 416.463 1.981 20 0 HDADMM Cc1nc(C(=O)N(CCC(=O)[O-])Cc2ccccc2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000675946275 1075304256 /nfs/dbraw/zinc/30/42/56/1075304256.db2.gz BLZWHMBOWZMTAD-UHFFFAOYSA-N -1 1 423.355 1.830 20 0 HDADMM CSc1nc(C)c(CCC(=O)NC[C@H]2CS(=O)(=O)c3ccccc32)c(=O)[n-]1 ZINC001129168907 1075330802 /nfs/dbraw/zinc/33/08/02/1075330802.db2.gz DKXBEOONGDWFFS-LBPRGKRZSA-N -1 1 407.517 1.832 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCC(=O)NCCCOC1CCCCC1 ZINC000731447991 1075345166 /nfs/dbraw/zinc/34/51/66/1075345166.db2.gz SIWOMPRYDZDEIP-UHFFFAOYSA-N -1 1 418.494 1.993 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCC(=O)N(CC(F)(F)F)C(C)C ZINC000731448546 1075345847 /nfs/dbraw/zinc/34/58/47/1075345847.db2.gz YBMFRIMYVMOKRZ-UHFFFAOYSA-N -1 1 402.373 1.937 20 0 HDADMM COc1ccc(C([O-])=C2[C@H](c3csnn3)NC(=S)N[C@@]2(O)C(F)(F)F)cc1 ZINC000731427264 1075347043 /nfs/dbraw/zinc/34/70/43/1075347043.db2.gz IFDQIPJHWFZZPT-MJVIPROJSA-N -1 1 418.422 1.816 20 0 HDADMM CS(=O)(=O)N1CCc2c1cccc2[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000543662435 1075393470 /nfs/dbraw/zinc/39/34/70/1075393470.db2.gz IQEZLIPBBYCXSI-UHFFFAOYSA-N -1 1 424.500 1.971 20 0 HDADMM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)Nc3ccc(Cl)cc3C(=O)[O-])cnc21 ZINC000543658704 1075396850 /nfs/dbraw/zinc/39/68/50/1075396850.db2.gz TVUNWKCPLGYAST-UHFFFAOYSA-N -1 1 410.795 1.187 20 0 HDADMM COC(=O)c1cc(I)cc([N-]S(=O)(=O)C[C@@H](C)OC)c1 ZINC000509388009 1075417300 /nfs/dbraw/zinc/41/73/00/1075417300.db2.gz XUVVNUCHTVXOKB-MRVPVSSYSA-N -1 1 413.233 1.854 20 0 HDADMM O=C([O-])C1(NCC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)CCCC1 ZINC000676230427 1075449001 /nfs/dbraw/zinc/44/90/01/1075449001.db2.gz GIVAYANFFMBLBO-CYBMUJFWSA-N -1 1 400.522 1.251 20 0 HDADMM NC(=O)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)c1 ZINC000509392639 1075460137 /nfs/dbraw/zinc/46/01/37/1075460137.db2.gz SACZYFIQBKBGIH-UHFFFAOYSA-N -1 1 410.411 1.630 20 0 HDADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H](Cc1ccccc1)C(N)=O ZINC000509395621 1075482812 /nfs/dbraw/zinc/48/28/12/1075482812.db2.gz AZTOHWVIAOBQHG-GOSISDBHSA-N -1 1 405.458 1.698 20 0 HDADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CN(C)CCN1C ZINC000509401484 1075496964 /nfs/dbraw/zinc/49/69/64/1075496964.db2.gz JVLPWZHWDZYVOK-LLVKDONJSA-N -1 1 410.323 1.304 20 0 HDADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1cc(OC(F)F)n(C)n1 ZINC000428125565 1075511074 /nfs/dbraw/zinc/51/10/74/1075511074.db2.gz MTHXKLMYKVHYEP-UHFFFAOYSA-N -1 1 404.377 2.459 20 0 HDADMM C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000676337893 1075512126 /nfs/dbraw/zinc/51/21/26/1075512126.db2.gz GUWILMWZJWNGCC-LRDDRELGSA-N -1 1 403.439 1.654 20 0 HDADMM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ccc(N2CCN(C)CC2)cc1C ZINC000731781200 1075522563 /nfs/dbraw/zinc/52/25/63/1075522563.db2.gz KBVDXNIHKZUIOE-UHFFFAOYSA-N -1 1 421.523 1.756 20 0 HDADMM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(N3CCNC(=O)C3)cc2)c1 ZINC000731782991 1075523657 /nfs/dbraw/zinc/52/36/57/1075523657.db2.gz TVGJOLYWKOFEGJ-UHFFFAOYSA-N -1 1 423.878 1.864 20 0 HDADMM COc1cc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)ccc1OCc1cscn1 ZINC000731855219 1075537511 /nfs/dbraw/zinc/53/75/11/1075537511.db2.gz VWQQXLOBSGNWMV-HNNXBMFYSA-N -1 1 402.436 1.458 20 0 HDADMM NC(=O)C1(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CCOCC1 ZINC000676398866 1075543451 /nfs/dbraw/zinc/54/34/51/1075543451.db2.gz KTJXJEYUJOMLKM-UHFFFAOYSA-N -1 1 403.460 1.252 20 0 HDADMM O=C(c1ccccc1)N1[C@H](C(=O)N2CCO[C@H](c3nn[n-]n3)C2)C[C@@H]2CCCC[C@@H]21 ZINC000731879966 1075551626 /nfs/dbraw/zinc/55/16/26/1075551626.db2.gz CKTWYHRHXFVHHI-XSLAGTTESA-N -1 1 410.478 1.573 20 0 HDADMM CC[C@@H](C(=O)N1CCO[C@H](c2nn[n-]n2)C1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000731880751 1075552080 /nfs/dbraw/zinc/55/20/80/1075552080.db2.gz XQWRXAGZPULAPB-STQMWFEESA-N -1 1 403.834 1.058 20 0 HDADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C2CC2)o1 ZINC000731883481 1075553377 /nfs/dbraw/zinc/55/33/77/1075553377.db2.gz ZMOVRTKDKPBGCK-QGZVFWFLSA-N -1 1 401.485 1.611 20 0 HDADMM CC(C)[C@H](C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)N1CCCS1(=O)=O ZINC000676476373 1075564593 /nfs/dbraw/zinc/56/45/93/1075564593.db2.gz RZZIWCCYBMXLRV-GOSISDBHSA-N -1 1 408.520 1.874 20 0 HDADMM COc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCN(CC(F)(F)F)C2=O)c(F)c1 ZINC000676497005 1075569028 /nfs/dbraw/zinc/56/90/28/1075569028.db2.gz VWHMHDFBQYFHLA-NSHDSACASA-N -1 1 402.341 1.805 20 0 HDADMM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000732086709 1075621380 /nfs/dbraw/zinc/62/13/80/1075621380.db2.gz GWKRFSDFNFUNNP-UHFFFAOYSA-N -1 1 414.897 1.849 20 0 HDADMM O=C(c1ccc(I)c(F)c1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732089914 1075622606 /nfs/dbraw/zinc/62/26/06/1075622606.db2.gz SBQHDTLCJFQLDI-JTQLQIEISA-N -1 1 403.155 1.157 20 0 HDADMM O=C(C(=Cc1ccco1)n1nnnc1-c1ccccc1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732090221 1075625144 /nfs/dbraw/zinc/62/51/44/1075625144.db2.gz PRVAWYWRVNHOQU-UVQBRAAOSA-N -1 1 419.405 1.044 20 0 HDADMM Cc1c(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)nnn1-c1cccc(Br)c1 ZINC000732091437 1075627101 /nfs/dbraw/zinc/62/71/01/1075627101.db2.gz DHXOMPWSZAXIDP-GFCCVEGCSA-N -1 1 419.243 1.065 20 0 HDADMM O=C(CSc1nnc(-c2cccs2)n1C1CC1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732091228 1075627116 /nfs/dbraw/zinc/62/71/16/1075627116.db2.gz WFKWFJBIQNLPQL-NSHDSACASA-N -1 1 418.508 1.547 20 0 HDADMM O=C(C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732091364 1075627502 /nfs/dbraw/zinc/62/75/02/1075627502.db2.gz ATTYNJALCPLRON-CYBMUJFWSA-N -1 1 411.388 1.430 20 0 HDADMM Cc1nc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)nn1-c1c(Cl)cccc1Cl ZINC000732091172 1075627577 /nfs/dbraw/zinc/62/75/77/1075627577.db2.gz UATHCKYOGVUCQY-NSHDSACASA-N -1 1 409.237 1.609 20 0 HDADMM C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(F)c(C(=O)NCc2nn[n-]n2)c1 ZINC000732158293 1075641374 /nfs/dbraw/zinc/64/13/74/1075641374.db2.gz XUMORGQSHSRCBP-NSHDSACASA-N -1 1 416.438 1.409 20 0 HDADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)CC(C)C)o1 ZINC000732141147 1075647699 /nfs/dbraw/zinc/64/76/99/1075647699.db2.gz BCMRJTXIZQBILY-GFCCVEGCSA-N -1 1 403.501 1.857 20 0 HDADMM O=C(CC(F)(F)F)NC[C@@H]1CCCN(C(=O)c2ccc3n[n-]c(=S)n3c2)C1 ZINC000804200669 1075663844 /nfs/dbraw/zinc/66/38/44/1075663844.db2.gz APPJJIBSHZRNJX-JTQLQIEISA-N -1 1 401.414 1.939 20 0 HDADMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])c1cccc2nccnc21 ZINC000543583074 1075692052 /nfs/dbraw/zinc/69/20/52/1075692052.db2.gz YFGFAYBRUJMRCB-UHFFFAOYSA-N -1 1 414.443 1.609 20 0 HDADMM CC(C)(C)OC(=O)NC[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)C1CCCCC1 ZINC000732300650 1075693712 /nfs/dbraw/zinc/69/37/12/1075693712.db2.gz QMIMKHWFMSSDEX-HNNXBMFYSA-N -1 1 408.499 1.517 20 0 HDADMM COC(=O)[C@@H](C[N-]S(=O)(=O)c1c(C)onc1N)Cc1cccc2ccccc21 ZINC000554906461 1075701305 /nfs/dbraw/zinc/70/13/05/1075701305.db2.gz FMQDYABTNZRKJW-OAHLLOKOSA-N -1 1 403.460 2.029 20 0 HDADMM Cc1onc(N)c1S(=O)(=O)[N-]CCC(=O)Nc1ccc(Br)cc1 ZINC000561994243 1075727079 /nfs/dbraw/zinc/72/70/79/1075727079.db2.gz BGGJYGVPLHFVDK-UHFFFAOYSA-N -1 1 403.258 1.635 20 0 HDADMM COC(=O)c1c(C)[n-]nc1S(=O)(=O)[N-]c1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000732526263 1075780480 /nfs/dbraw/zinc/78/04/80/1075780480.db2.gz XVFOZAPYMDAKTE-ZDUSSCGKSA-N -1 1 408.480 1.699 20 0 HDADMM COC(=O)c1c(C)[n-]nc1S(=O)(=O)[N-]c1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000732526262 1075780577 /nfs/dbraw/zinc/78/05/77/1075780577.db2.gz XVFOZAPYMDAKTE-CYBMUJFWSA-N -1 1 408.480 1.699 20 0 HDADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@H](O)[C@H](C)O)cc2)cc1 ZINC001168763258 1075784602 /nfs/dbraw/zinc/78/46/02/1075784602.db2.gz CAEFZQJMKGQCEU-UGSOOPFHSA-N -1 1 408.476 1.358 20 0 HDADMM O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000509275519 1075802090 /nfs/dbraw/zinc/80/20/90/1075802090.db2.gz FIQUOJMJJDWICY-UHFFFAOYSA-N -1 1 406.464 1.580 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 ZINC000732677887 1075831266 /nfs/dbraw/zinc/83/12/66/1075831266.db2.gz CNYNTRWEDCZIMW-UHFFFAOYSA-N -1 1 419.503 1.813 20 0 HDADMM CCCCCCN(CCN1CCOCC1)C(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000143720491 1075905691 /nfs/dbraw/zinc/90/56/91/1075905691.db2.gz XAUDGZRNUMIEEX-UHFFFAOYSA-N -1 1 401.529 1.542 20 0 HDADMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)ccc1N1C(=O)CCC1=O ZINC000732951923 1075917892 /nfs/dbraw/zinc/91/78/92/1075917892.db2.gz UMJWJEINGWVUGH-UHFFFAOYSA-N -1 1 413.411 1.333 20 0 HDADMM COc1cc(NC(=O)c2nnn(Cc3cc(C)on3)c2C)ccc1[N-]S(C)(=O)=O ZINC000505401216 1075971690 /nfs/dbraw/zinc/97/16/90/1075971690.db2.gz DJRJGUCGBPNQNS-UHFFFAOYSA-N -1 1 420.451 1.564 20 0 HDADMM CCCN(C(=O)CCn1cc[n-]c(=O)c1=O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000733143544 1075974985 /nfs/dbraw/zinc/97/49/85/1075974985.db2.gz GMDVWYSJGNYMPP-UHFFFAOYSA-N -1 1 412.490 1.470 20 0 HDADMM CCNC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCCOC)c2)c(C)c1 ZINC000506674423 1075976679 /nfs/dbraw/zinc/97/66/79/1075976679.db2.gz GVOOXHRMACQUCK-UHFFFAOYSA-N -1 1 419.503 1.922 20 0 HDADMM Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CCn2cc[n-]c(=O)c2=O)c(C)c1 ZINC000733147463 1075983198 /nfs/dbraw/zinc/98/31/98/1075983198.db2.gz OWJGJIOFMJBMBQ-OAHLLOKOSA-N -1 1 402.476 1.084 20 0 HDADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)o1 ZINC000733182997 1076010599 /nfs/dbraw/zinc/01/05/99/1076010599.db2.gz DYYGTWXUTSVJSI-RYUDHWBXSA-N -1 1 401.485 1.658 20 0 HDADMM O=C(c1ccc(Br)cc1[O-])N1CCC(N2CCCS2(=O)=O)CC1 ZINC001299301786 1076020818 /nfs/dbraw/zinc/02/08/18/1076020818.db2.gz NFOKJDMDMSVNMW-UHFFFAOYSA-N -1 1 403.298 1.795 20 0 HDADMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2ccc3[nH]nc(C(=O)OC)c3c2)cc1 ZINC000733249011 1076022485 /nfs/dbraw/zinc/02/24/85/1076022485.db2.gz AHEWVFNXNDDBON-UHFFFAOYSA-N -1 1 403.416 1.866 20 0 HDADMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2cccc(N3C(=O)CN(C)C3=O)c2)cc1 ZINC000733249699 1076023282 /nfs/dbraw/zinc/02/32/82/1076023282.db2.gz QNFHGWKDWTUQDB-UHFFFAOYSA-N -1 1 417.443 1.601 20 0 HDADMM O=C(OCCCN1C(=O)CNC1=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000733409568 1076069584 /nfs/dbraw/zinc/06/95/84/1076069584.db2.gz NGZLIPMOGKASGB-UHFFFAOYSA-N -1 1 417.443 1.586 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 ZINC000733782910 1076205145 /nfs/dbraw/zinc/20/51/45/1076205145.db2.gz JYCWQQQOADYQRS-UHFFFAOYSA-N -1 1 405.414 1.163 20 0 HDADMM COc1cc(CNC(=O)CCn2cc[n-]c(=O)c2=O)ccc1OCc1ccccc1 ZINC000727754400 1076227690 /nfs/dbraw/zinc/22/76/90/1076227690.db2.gz RZJNIAZEQKBVSX-UHFFFAOYSA-N -1 1 409.442 1.831 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000727852731 1076271673 /nfs/dbraw/zinc/27/16/73/1076271673.db2.gz AESOPCIWDYGQGP-UHFFFAOYSA-N -1 1 407.352 1.448 20 0 HDADMM COCCN(CC(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C)C(=O)OC(C)(C)C ZINC000733982473 1076282591 /nfs/dbraw/zinc/28/25/91/1076282591.db2.gz DQXWLAAWJZPTSB-UHFFFAOYSA-N -1 1 407.471 1.551 20 0 HDADMM O=C(CCn1c(=O)c2ccccc2[n-]c1=S)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000730087675 1076441418 /nfs/dbraw/zinc/44/14/18/1076441418.db2.gz XEBXJJWOXOBRLS-DLBZAZTESA-N -1 1 402.520 1.133 20 0 HDADMM C[S@](=O)CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000730092752 1076447707 /nfs/dbraw/zinc/44/77/07/1076447707.db2.gz CPSQREWQXDUGKR-VWLOTQADSA-N -1 1 402.444 1.874 20 0 HDADMM CCC(=O)N1CSC[C@@H]1C(=O)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000730309797 1076525083 /nfs/dbraw/zinc/52/50/83/1076525083.db2.gz SDLKKNHNSMMTLP-GFCCVEGCSA-N -1 1 416.402 1.399 20 0 HDADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(N3C(=O)CNC3=O)c2)c1C ZINC000731177612 1076744662 /nfs/dbraw/zinc/74/46/62/1076744662.db2.gz HZUWLWHSLCUKKU-UHFFFAOYSA-N -1 1 403.416 1.639 20 0 HDADMM NC(=O)CCNC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cnc3ccccc3c2)c1 ZINC000509073369 1073464712 /nfs/dbraw/zinc/46/47/12/1073464712.db2.gz AOJXUXUOMKIZGG-UHFFFAOYSA-N -1 1 416.434 1.780 20 0 HDADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2Cc3ccccc3-c3ccccc32)o1 ZINC000673642326 1073478925 /nfs/dbraw/zinc/47/89/25/1073478925.db2.gz WJNLBYWSTKSQGD-UHFFFAOYSA-N -1 1 411.439 1.871 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000625110948 1073501666 /nfs/dbraw/zinc/50/16/66/1073501666.db2.gz VFJZGTOOMKGOAM-UHFFFAOYSA-N -1 1 414.510 1.734 20 0 HDADMM CS(=O)(=O)c1ccccc1CC(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000671796934 1073581522 /nfs/dbraw/zinc/58/15/22/1073581522.db2.gz SKQPZQSZGSUCQK-INIZCTEOSA-N -1 1 423.857 1.844 20 0 HDADMM Cc1nc(C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000673836354 1073810625 /nfs/dbraw/zinc/81/06/25/1073810625.db2.gz OYGRBAYALVIJIZ-UHFFFAOYSA-N -1 1 421.299 1.308 20 0 HDADMM Cc1ccc2ncccc2c1S(=O)(=O)[N-]c1cccc(C(=O)NCCC(N)=O)c1 ZINC000673984391 1073990315 /nfs/dbraw/zinc/99/03/15/1073990315.db2.gz RYEQSBIJSWJKLC-UHFFFAOYSA-N -1 1 412.471 1.949 20 0 HDADMM CC(C)(C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F)S(C)(=O)=O ZINC000674046274 1074139673 /nfs/dbraw/zinc/13/96/73/1074139673.db2.gz VRTNKEASBWBMAG-UHFFFAOYSA-N -1 1 406.270 1.829 20 0 HDADMM NS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)ccc1Cl ZINC000674334198 1074287600 /nfs/dbraw/zinc/28/76/00/1074287600.db2.gz PCMIACYUHBCGGJ-UHFFFAOYSA-N -1 1 413.864 1.630 20 0 HDADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)c1 ZINC000674383689 1074306877 /nfs/dbraw/zinc/30/68/77/1074306877.db2.gz FOSOERCBXZZJQG-UHFFFAOYSA-N -1 1 424.548 1.526 20 0 HDADMM O=C(NCc1nn[n-]n1)C(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 ZINC000674586426 1074466613 /nfs/dbraw/zinc/46/66/13/1074466613.db2.gz SBOLXGUICDIYJY-UHFFFAOYSA-N -1 1 419.854 1.100 20 0 HDADMM CC(C)(C)OCc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)cc1 ZINC000674595128 1074473756 /nfs/dbraw/zinc/47/37/56/1074473756.db2.gz FOCBWWVJCAZAPN-UHFFFAOYSA-N -1 1 409.464 1.611 20 0 HDADMM COc1cc(OC)cc(N2C[C@@H](C(=O)N[C@H](c3nn[n-]n3)c3ccccc3)CC2=O)c1 ZINC000674603582 1074474814 /nfs/dbraw/zinc/47/48/14/1074474814.db2.gz NGGQHENRGVNTOO-LIRRHRJNSA-N -1 1 422.445 1.476 20 0 HDADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@H](O)C[C@H](O)C3)cc2)cc1C ZINC000674808002 1074579055 /nfs/dbraw/zinc/57/90/55/1074579055.db2.gz HXEIYIRZIWKQMD-HDICACEKSA-N -1 1 404.488 1.672 20 0 HDADMM C[C@@H](OC[C@H]1CCCO1)C(=O)N1CCC([C@@H]2OCC[C@H]2[N-]C(=O)C(F)(F)F)CC1 ZINC001128871504 1074612018 /nfs/dbraw/zinc/61/20/18/1074612018.db2.gz OVZMZAZCWQYEOG-MIGQKNRLSA-N -1 1 422.444 1.645 20 0 HDADMM COc1ccc(NC(=O)N2CCN(CC(C)C)C(=O)[C@@H]2C)cc1[N-]S(C)(=O)=O ZINC000429317802 1074724765 /nfs/dbraw/zinc/72/47/65/1074724765.db2.gz PKKFCZZWDMWOTK-ZDUSSCGKSA-N -1 1 412.512 1.787 20 0 HDADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCCC(=O)NCc2cccnc2)o1 ZINC000142874534 1074813543 /nfs/dbraw/zinc/81/35/43/1074813543.db2.gz BCNOMQCUTWJEAI-UHFFFAOYSA-N -1 1 408.480 1.188 20 0 HDADMM COc1cncc(S(=O)(=O)[N-]c2ccccc2CN2CCC[C@@H](C(N)=O)C2)c1 ZINC000509242329 1075093255 /nfs/dbraw/zinc/09/32/55/1075093255.db2.gz ZOYJDMWWZIBSEC-OAHLLOKOSA-N -1 1 404.492 1.588 20 0 HDADMM Cc1ccc(C(=O)N2C[C@H](O)C[C@H](O)C2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000675477828 1075168357 /nfs/dbraw/zinc/16/83/57/1075168357.db2.gz OIRFVBPAMOAQIP-CALCHBBNSA-N -1 1 408.451 1.503 20 0 HDADMM CCOC(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cc(C)on3)c2)n[nH]1 ZINC000543761984 1075298769 /nfs/dbraw/zinc/29/87/69/1075298769.db2.gz CEFUTQAQZXDOMX-UHFFFAOYSA-N -1 1 419.419 1.936 20 0 HDADMM Cc1nc(C(=O)N(CC(=O)[O-])C2CCCCC2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000675992764 1075316170 /nfs/dbraw/zinc/31/61/70/1075316170.db2.gz PEFNUDHNUHZBAG-UHFFFAOYSA-N -1 1 401.349 1.572 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCC(=O)N(C)Cc1ccccc1F ZINC000731446594 1075343664 /nfs/dbraw/zinc/34/36/64/1075343664.db2.gz MMKBHYBKOAUPHI-UHFFFAOYSA-N -1 1 400.410 1.935 20 0 HDADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3nncn3C)cc2)cc1 ZINC000463408884 1075372219 /nfs/dbraw/zinc/37/22/19/1075372219.db2.gz HKADCQLCRKXOHW-UHFFFAOYSA-N -1 1 401.448 2.267 20 0 HDADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3nncn3C)cc2)cc1 ZINC000463450944 1075373826 /nfs/dbraw/zinc/37/38/26/1075373826.db2.gz DMFKURCUQLAPNI-UHFFFAOYSA-N -1 1 401.448 2.267 20 0 HDADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cccc(NC(=O)C(N)=O)c3)cc2C[C@@H]1C ZINC000509384787 1075374327 /nfs/dbraw/zinc/37/43/27/1075374327.db2.gz GWELOCDLZBXSEV-NSHDSACASA-N -1 1 416.459 1.209 20 0 HDADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cc(C(N)=O)[nH]n3)cc2)cc1 ZINC000676204689 1075426907 /nfs/dbraw/zinc/42/69/07/1075426907.db2.gz GJSSQAIYNGZUEV-UHFFFAOYSA-N -1 1 415.431 1.570 20 0 HDADMM C[NH+](C)CCN(CC(=O)[O-])C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000676205384 1075427759 /nfs/dbraw/zinc/42/77/59/1075427759.db2.gz ALEVZRAECJLBMR-UHFFFAOYSA-N -1 1 405.476 1.576 20 0 HDADMM C[C@@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)[C@H]1CN(C)CCO1 ZINC000676257906 1075452102 /nfs/dbraw/zinc/45/21/02/1075452102.db2.gz NTKGWLYJJMEDLV-DNVCBOLYSA-N -1 1 403.504 1.936 20 0 HDADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)Nc1ccc(C(F)(F)F)nn1 ZINC000484137185 1075519568 /nfs/dbraw/zinc/51/95/68/1075519568.db2.gz FIJLAQCBUISZHW-UHFFFAOYSA-N -1 1 412.372 1.707 20 0 HDADMM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3ccc(N4CCNC(=O)C4)cc3)cc12 ZINC000731782303 1075522926 /nfs/dbraw/zinc/52/29/26/1075522926.db2.gz NKMLXGTUZIWQFT-UHFFFAOYSA-N -1 1 400.464 1.014 20 0 HDADMM COc1cc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)ccc1OCc1cscn1 ZINC000731855220 1075537409 /nfs/dbraw/zinc/53/74/09/1075537409.db2.gz VWQQXLOBSGNWMV-OAHLLOKOSA-N -1 1 402.436 1.458 20 0 HDADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCn3ncnn3)ccc2C)cc1 ZINC000676393648 1075541887 /nfs/dbraw/zinc/54/18/87/1075541887.db2.gz KWOQMCOOZQIEDS-UHFFFAOYSA-N -1 1 400.464 1.521 20 0 HDADMM COc1cc(NC(=O)N2CCN(CC(C)C)C(=O)[C@H]2C)ccc1[N-]S(C)(=O)=O ZINC000429433749 1075544655 /nfs/dbraw/zinc/54/46/55/1075544655.db2.gz WLRDJDZZZQYCMW-CYBMUJFWSA-N -1 1 412.512 1.787 20 0 HDADMM CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2nn[n-]n2)c1 ZINC000731873721 1075549132 /nfs/dbraw/zinc/54/91/32/1075549132.db2.gz ZPVAGSYHCOFLLD-UHFFFAOYSA-N -1 1 424.845 1.747 20 0 HDADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H](C)[C@H](OC)C2)c(OC)c1 ZINC000466730577 1075551169 /nfs/dbraw/zinc/55/11/69/1075551169.db2.gz GLHVQHGVZGSCLF-XJKSGUPXSA-N -1 1 420.553 1.892 20 0 HDADMM CCOc1ccc(-c2nc(CC(=O)N3CCO[C@@H](c4nn[n-]n4)C3)cs2)cc1 ZINC000731880378 1075551256 /nfs/dbraw/zinc/55/12/56/1075551256.db2.gz LUGABOJISSEBRS-OAHLLOKOSA-N -1 1 400.464 1.865 20 0 HDADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2CN2CCCC2=O)o1 ZINC000732024003 1075589364 /nfs/dbraw/zinc/58/93/64/1075589364.db2.gz DKLABLCFVCCQGR-AWEZNQCLSA-N -1 1 411.524 1.974 20 0 HDADMM O=C(Cc1cccs1)Nc1nc(CC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)cs1 ZINC000732091992 1075608863 /nfs/dbraw/zinc/60/88/63/1075608863.db2.gz UGBOUKXOJGPGRL-GFCCVEGCSA-N -1 1 419.492 1.042 20 0 HDADMM C=CC(=O)NCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000732100512 1075612762 /nfs/dbraw/zinc/61/27/62/1075612762.db2.gz MTEQUXWEVFLZPM-UHFFFAOYSA-N -1 1 405.451 1.967 20 0 HDADMM Cc1ccc2nc(COc3ccc(C(=O)N4CCO[C@H](c5nn[n-]n5)C4)cc3)cn2c1 ZINC000732088914 1075621784 /nfs/dbraw/zinc/62/17/84/1075621784.db2.gz HYZHJIWTCMUACQ-SFHVURJKSA-N -1 1 419.445 1.949 20 0 HDADMM CCCc1nc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)nn1-c1ccccc1Cl ZINC000732089314 1075623895 /nfs/dbraw/zinc/62/38/95/1075623895.db2.gz GICZFXLLYCSLDC-ZDUSSCGKSA-N -1 1 402.846 1.600 20 0 HDADMM C[C@@H](NC(=O)N1CC[C@H]([N@@H+](C)Cc2cc(=O)[nH]c(N)n2)C1)c1ccc2n[nH]cc2c1 ZINC000553992168 1075676534 /nfs/dbraw/zinc/67/65/34/1075676534.db2.gz IHCTYKWNCFWZFA-WBMJQRKESA-N -1 1 410.482 1.618 20 0 HDADMM Cc1onc(N)c1S(=O)(=O)[N-]CCCNC(=O)c1cccc(Br)c1 ZINC000566036950 1075727465 /nfs/dbraw/zinc/72/74/65/1075727465.db2.gz DGORPXFUJCFPFM-UHFFFAOYSA-N -1 1 417.285 1.426 20 0 HDADMM Cc1onc(N)c1S(=O)(=O)[N-][C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000569411673 1075732199 /nfs/dbraw/zinc/73/21/99/1075732199.db2.gz REPHKFDXCXIGCX-NSHDSACASA-N -1 1 415.269 1.412 20 0 HDADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000509257314 1075737103 /nfs/dbraw/zinc/73/71/03/1075737103.db2.gz TUIDYDGFEXERFT-JTQLQIEISA-N -1 1 412.434 1.528 20 0 HDADMM CC(C)(C)OC(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000766153281 1075743004 /nfs/dbraw/zinc/74/30/04/1075743004.db2.gz XUUHWEYQBYRCEQ-HWPZZCPQSA-N -1 1 401.489 1.620 20 0 HDADMM CC(C)(C)OC(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000766153281 1075743006 /nfs/dbraw/zinc/74/30/06/1075743006.db2.gz XUUHWEYQBYRCEQ-HWPZZCPQSA-N -1 1 401.489 1.620 20 0 HDADMM O=C(c1cccc(CN2CCS(=O)(=O)CC2)c1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000509260942 1075749005 /nfs/dbraw/zinc/74/90/05/1075749005.db2.gz YMFUYMPESSPDKK-UHFFFAOYSA-N -1 1 420.491 1.025 20 0 HDADMM CC(C)c1ccc(S(=O)(=O)NCCC(=O)N2CCC(c3n[n-]c(=O)o3)CC2)cc1 ZINC000509263542 1075753963 /nfs/dbraw/zinc/75/39/63/1075753963.db2.gz LVUCKPPCVHNXAO-UHFFFAOYSA-N -1 1 422.507 1.973 20 0 HDADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)o1 ZINC000143335799 1075811182 /nfs/dbraw/zinc/81/11/82/1075811182.db2.gz HBCSZHCIQYERJD-CYBMUJFWSA-N -1 1 415.512 1.907 20 0 HDADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N[C@@]2(CO)CCOC2)cc1 ZINC000543602104 1075824040 /nfs/dbraw/zinc/82/40/40/1075824040.db2.gz NBNFUAAMVWNCDJ-LJQANCHMSA-N -1 1 408.451 1.816 20 0 HDADMM CCOC(=O)c1cnn(-c2ccc(C(=O)N3CCC[C@H](c4nn[n-]n4)C3)cc2)c1C ZINC000611072346 1075825092 /nfs/dbraw/zinc/82/50/92/1075825092.db2.gz LWZQWLWAZFLQAB-HNNXBMFYSA-N -1 1 409.450 1.890 20 0 HDADMM O=C(c1ccc(I)c(F)c1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000611072340 1075825176 /nfs/dbraw/zinc/82/51/76/1075825176.db2.gz KXIAXHKROKTZBI-SECBINFHSA-N -1 1 401.183 1.963 20 0 HDADMM COC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000611342442 1075906981 /nfs/dbraw/zinc/90/69/81/1075906981.db2.gz SKUQZYHLGWZNLK-LBPRGKRZSA-N -1 1 408.473 1.304 20 0 HDADMM O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1C[C@@H](c2ccccc2F)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001079313913 1075969084 /nfs/dbraw/zinc/96/90/84/1075969084.db2.gz YCKQCRFSBTXPDJ-YIUHCBHRSA-N -1 1 401.442 1.301 20 0 HDADMM Cc1ccc(CNC(=O)c2ccccc2NC(=O)CCn2cc[n-]c(=O)c2=O)cc1 ZINC000733128536 1075979219 /nfs/dbraw/zinc/97/92/19/1075979219.db2.gz VGNWTRPAMQNUPB-UHFFFAOYSA-N -1 1 406.442 1.804 20 0 HDADMM Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CCn2cc[n-]c(=O)c2=O)cc1C ZINC000733146909 1075982337 /nfs/dbraw/zinc/98/23/37/1075982337.db2.gz WBSVPPYAUPFDAP-HNNXBMFYSA-N -1 1 402.476 1.084 20 0 HDADMM CCN(Cc1cccc(NC(=O)CCn2cc[n-]c(=O)c2=O)c1)C(=O)C(F)(F)F ZINC000733147049 1075982673 /nfs/dbraw/zinc/98/26/73/1075982673.db2.gz TUQOLBSXFVYWOR-UHFFFAOYSA-N -1 1 412.368 1.476 20 0 HDADMM COC(=O)[C@H](CNC(=O)CCn1cc[n-]c(=O)c1=O)Cc1ccc2ccccc2c1 ZINC000733178430 1076009292 /nfs/dbraw/zinc/00/92/92/1076009292.db2.gz RDZCBBZKFDUGTR-SFHVURJKSA-N -1 1 409.442 1.228 20 0 HDADMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000021006351 1076060184 /nfs/dbraw/zinc/06/01/84/1076060184.db2.gz RXMKQXCVIPBJQJ-AWEZNQCLSA-N -1 1 421.519 1.906 20 0 HDADMM CS(=O)(=O)N1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000021903783 1076064385 /nfs/dbraw/zinc/06/43/85/1076064385.db2.gz MOYHJFCADDDXRO-UHFFFAOYSA-N -1 1 423.516 1.205 20 0 HDADMM COC(=O)C[C@@H]([N-]S(=O)(=O)/C=C\c1cccc(Br)c1)C(=O)OC ZINC000727445309 1076124108 /nfs/dbraw/zinc/12/41/08/1076124108.db2.gz XXZVCDOAXVDCEU-ZHRWSRJISA-N -1 1 406.254 1.444 20 0 HDADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)Nc1nnc([C@H]2CCCO2)o1 ZINC000727514795 1076156451 /nfs/dbraw/zinc/15/64/51/1076156451.db2.gz ZQKLVNIDFLUYCX-CYBMUJFWSA-N -1 1 424.435 1.478 20 0 HDADMM CN(C)C(=O)CNC(=S)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000727703475 1076210264 /nfs/dbraw/zinc/21/02/64/1076210264.db2.gz HWMQGXGKYRIAOZ-UHFFFAOYSA-N -1 1 420.560 1.882 20 0 HDADMM COc1ccc(C(=O)[N-]C(=O)CN2CCN(C(=O)c3c(F)cccc3F)CC2)cc1 ZINC000727831554 1076263536 /nfs/dbraw/zinc/26/35/36/1076263536.db2.gz IRIIXKBRUJPTAG-UHFFFAOYSA-N -1 1 417.412 1.688 20 0 HDADMM COc1cc(OC)c(C2CCN(C(=O)CCn3cc[n-]c(=O)c3=O)CC2)c(OC)c1 ZINC000727848593 1076270463 /nfs/dbraw/zinc/27/04/63/1076270463.db2.gz MPQJESQGIIVCKN-UHFFFAOYSA-N -1 1 417.462 1.359 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000727852302 1076271591 /nfs/dbraw/zinc/27/15/91/1076271591.db2.gz QTHXJKLTDUSZDU-UHFFFAOYSA-N -1 1 417.263 1.755 20 0 HDADMM COc1cc(Br)c(CNC(=O)CCn2cc[n-]c(=O)c2=O)cc1OC ZINC000727857896 1076274081 /nfs/dbraw/zinc/27/40/81/1076274081.db2.gz SZFILRKXORAAIZ-UHFFFAOYSA-N -1 1 412.240 1.023 20 0 HDADMM COC1CN(C(=O)c2ccc(NC(=O)Cc3sc(N4CCCC4)nc3[O-])cc2)C1 ZINC000733965799 1076277718 /nfs/dbraw/zinc/27/77/18/1076277718.db2.gz JNEOUIZVAAOGQP-INIZCTEOSA-N -1 1 416.503 1.580 20 0 HDADMM CC(=O)[C@H]1CC(C(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)=NN1c1ccccc1 ZINC000733982769 1076282214 /nfs/dbraw/zinc/28/22/14/1076282214.db2.gz JAFRTHNKZKFZRK-GOSISDBHSA-N -1 1 406.446 1.892 20 0 HDADMM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000728016387 1076304578 /nfs/dbraw/zinc/30/45/78/1076304578.db2.gz MVEJSXGNOTWHRH-UHFFFAOYSA-N -1 1 414.480 1.867 20 0 HDADMM O=S(=O)([N-]c1ccc(N2CCOCC2)c(F)c1)c1cccc(-n2cnnn2)c1 ZINC000728016171 1076305310 /nfs/dbraw/zinc/30/53/10/1076305310.db2.gz KNHMBMNWMLPTCG-UHFFFAOYSA-N -1 1 404.427 1.439 20 0 HDADMM CCCS(=O)(=O)Nc1ccc(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)cc1 ZINC000728110674 1076337122 /nfs/dbraw/zinc/33/71/22/1076337122.db2.gz QUQDHEOYLCBUFX-UHFFFAOYSA-N -1 1 404.444 1.952 20 0 HDADMM CC(=O)N1CSC[C@@H]1C(=O)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000730306279 1076522246 /nfs/dbraw/zinc/52/22/46/1076522246.db2.gz HNDSNBRGKUQAMQ-GFCCVEGCSA-N -1 1 402.375 1.009 20 0 HDADMM CCN(C(=O)COC(=O)c1ccc(Cl)c(Cl)c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000730360561 1076550701 /nfs/dbraw/zinc/55/07/01/1076550701.db2.gz WZARBTNXSCRTTM-VIFPVBQESA-N -1 1 410.275 1.891 20 0 HDADMM CC[C@@](NC(=O)c1nc(C)n(-c2nnc(C(F)(F)F)[nH]2)n1)(C(=O)[O-])c1ccccc1 ZINC000485354010 939225241 /nfs/dbraw/zinc/22/52/41/939225241.db2.gz GSGMHPQSOQDLJA-INIZCTEOSA-N -1 1 423.355 1.833 20 0 HDADMM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(C)c(S(N)(=O)=O)c3)ccc21 ZINC000015246245 1073540428 /nfs/dbraw/zinc/54/04/28/1073540428.db2.gz RRYXVTKBVOYVFU-UHFFFAOYSA-N -1 1 423.516 1.742 20 0 HDADMM COC(=O)c1ccc(NC(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)s1 ZINC000029077215 1073756390 /nfs/dbraw/zinc/75/63/90/1073756390.db2.gz UOYZZSJNCBRLSP-UHFFFAOYSA-N -1 1 406.464 1.334 20 0 HDADMM CC(C)(C)c1ccc2c(c1)CCCN2C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000766037748 1073801978 /nfs/dbraw/zinc/80/19/78/1073801978.db2.gz ISBGVMGLWSCDQT-UHFFFAOYSA-N -1 1 419.503 1.934 20 0 HDADMM C[C@]1(CNS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CCO[C@H]1C1CC1 ZINC000466552956 1073886442 /nfs/dbraw/zinc/88/64/42/1073886442.db2.gz QZAGRYMIYJAAHK-JKSUJKDBSA-N -1 1 406.501 1.681 20 0 HDADMM COc1cc(C(=O)[O-])cc(NS(=O)(=O)c2ccc(CCNC(C)=O)cc2)c1OC ZINC000674334235 1074287403 /nfs/dbraw/zinc/28/74/03/1074287403.db2.gz SQWWYZWZAGDYCF-UHFFFAOYSA-N -1 1 422.459 1.881 20 0 HDADMM COCCCn1ccc(NC(=O)C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1 ZINC000674762373 1074555287 /nfs/dbraw/zinc/55/52/87/1074555287.db2.gz KXMPKAVRBBNVEY-UHFFFAOYSA-N -1 1 414.462 1.685 20 0 HDADMM CN(C)S(=O)(=O)c1ccc(COC(=O)c2sccc2[N-]S(C)(=O)=O)cc1 ZINC000766082556 1074619841 /nfs/dbraw/zinc/61/98/41/1074619841.db2.gz 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/nfs/dbraw/zinc/84/93/51/1075849351.db2.gz SGMFMKIEQQQRFM-MYZZLAAOSA-N -1 1 424.505 1.884 20 0 HDADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732788880 1075857784 /nfs/dbraw/zinc/85/77/84/1075857784.db2.gz UZRCIKUPIDYBPI-CQSZACIVSA-N -1 1 423.395 1.717 20 0 HDADMM Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000733360611 1076052269 /nfs/dbraw/zinc/05/22/69/1076052269.db2.gz NMWIYTHJYMKDGG-UHFFFAOYSA-N -1 1 408.871 1.976 20 0 HDADMM Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000733360611 1076052275 /nfs/dbraw/zinc/05/22/75/1076052275.db2.gz NMWIYTHJYMKDGG-UHFFFAOYSA-N -1 1 408.871 1.976 20 0 HDADMM O=C(CCNC(=O)c1ccsc1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000021006403 1076060640 /nfs/dbraw/zinc/06/06/40/1076060640.db2.gz IZQDSCAFQNZTLJ-UHFFFAOYSA-N -1 1 423.516 1.997 20 0 HDADMM CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(CS(N)(=O)=O)cc2)cc1 ZINC000727795388 1076257247 /nfs/dbraw/zinc/25/72/47/1076257247.db2.gz DUHQLAFFLWXCFP-UHFFFAOYSA-N 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CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)OCC(=O)[N-]C(=O)c1ccc(OC)cc1 ZINC000730325633 1076541555 /nfs/dbraw/zinc/54/15/55/1076541555.db2.gz OFNNCBFAQFRHST-ZUFYJRLNSA-N -1 1 420.487 1.753 20 0 HDADMM C[C@@H](OC(=O)c1ccc(Cl)c(Cl)c1[O-])C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000730361178 1076550914 /nfs/dbraw/zinc/55/09/14/1076550914.db2.gz YRNJGTFOGFQXFK-BDAKNGLRSA-N -1 1 410.275 1.890 20 0 HDADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000730372075 1076557316 /nfs/dbraw/zinc/55/73/16/1076557316.db2.gz CXKWJIYCWLRLFO-UHFFFAOYSA-N -1 1 416.405 1.784 20 0 HDADMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(N3CCNC(=O)C3)nc2)ccc1F ZINC000730440875 1076578251 /nfs/dbraw/zinc/57/82/51/1076578251.db2.gz FUOKLJGFJRTNEP-UHFFFAOYSA-N -1 1 422.438 1.134 20 0 HDADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2nccn2C)c2ccccc2OC)o1 ZINC000730811247 1076667068 /nfs/dbraw/zinc/66/70/68/1076667068.db2.gz IVUKZGQTWTVVGO-MRXNPFEDSA-N -1 1 405.432 1.876 20 0 HDADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc(C2CC2)[n-]c1=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001004721719 1073571747 /nfs/dbraw/zinc/57/17/47/1073571747.db2.gz MZRRDBNXWWETHR-FHBPVZEJSA-N -1 1 410.474 1.345 20 0 HDADMM Cn1cc(S(=O)(=O)[N-][C@H](c2cccs2)c2ccc(F)cc2)c(=O)n(C)c1=O ZINC000015332863 1073608072 /nfs/dbraw/zinc/60/80/72/1073608072.db2.gz DVXNROXSYRKTEL-HNNXBMFYSA-N -1 1 409.464 1.353 20 0 HDADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(c3ncnc4sccc43)CC2)o1 ZINC000509158040 1073782967 /nfs/dbraw/zinc/78/29/67/1073782967.db2.gz WSPFBFFFVJQIPC-UHFFFAOYSA-N -1 1 407.477 1.155 20 0 HDADMM Cn1cnnc1Sc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000014806030 1074070456 /nfs/dbraw/zinc/07/04/56/1074070456.db2.gz WIKGTTQBLZQHEA-UHFFFAOYSA-N -1 1 402.461 1.937 20 0 HDADMM CC(C)C[C@H]([N-]S(=O)(=O)c1cccc2c1OCO2)c1nc(-c2nc[nH]n2)no1 ZINC000509207591 1074115637 /nfs/dbraw/zinc/11/56/37/1074115637.db2.gz BLIFFMQNDJIWGP-JTQLQIEISA-N -1 1 406.424 1.649 20 0 HDADMM COC1CCN(CCNC(=O)c2cccc(S(=O)(=O)[N-]c3cc(C)on3)c2)CC1 ZINC000674326008 1074275427 /nfs/dbraw/zinc/27/54/27/1074275427.db2.gz VMJCMRDHISTWHX-UHFFFAOYSA-N -1 1 422.507 1.624 20 0 HDADMM COc1cc(NC(=O)C[N-]S(=O)(=O)c2c(F)cc(OC)cc2F)cc(OC)c1 ZINC000674417695 1074319228 /nfs/dbraw/zinc/31/92/28/1074319228.db2.gz RETYXNILWLZHBQ-UHFFFAOYSA-N -1 1 416.402 1.908 20 0 HDADMM C[C@H](C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000674603631 1074474791 /nfs/dbraw/zinc/47/47/91/1074474791.db2.gz OWXGCALRVOQXPC-SUMWQHHRSA-N -1 1 414.491 1.459 20 0 HDADMM COCCn1ccc(NC(=O)C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1 ZINC000674761958 1074555645 /nfs/dbraw/zinc/55/56/45/1074555645.db2.gz BSRUHJCGJNNAIB-UHFFFAOYSA-N -1 1 400.435 1.295 20 0 HDADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)N1C[C@H](O)C[C@H](O)C1 ZINC000674807116 1074573389 /nfs/dbraw/zinc/57/33/89/1074573389.db2.gz WNAXCHCENHZDDM-IYBDPMFKSA-N -1 1 410.879 1.709 20 0 HDADMM COc1cc(NC(=O)C(=O)N2CCC[C@H]2c2nc(C)no2)ccc1[N-]S(C)(=O)=O ZINC000509307305 1074713983 /nfs/dbraw/zinc/71/39/83/1074713983.db2.gz VJSSBEZGKOFKEX-ZDUSSCGKSA-N -1 1 423.451 1.060 20 0 HDADMM CCC[C@H](NC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl)c1nn[n-]n1 ZINC000675143861 1074742812 /nfs/dbraw/zinc/74/28/12/1074742812.db2.gz GAEJXWAXYOZFNA-NSHDSACASA-N -1 1 421.310 1.833 20 0 HDADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@H](CO)Oc3ccccc32)c(F)c1 ZINC000675283689 1074787848 /nfs/dbraw/zinc/78/78/48/1074787848.db2.gz KFUFLWVJKZUHHM-GFCCVEGCSA-N -1 1 416.452 1.146 20 0 HDADMM Cc1cc(NC(=O)CN2CCN(C(=O)c3ccc(Br)c([O-])c3)CC2)no1 ZINC000499745395 1075115471 /nfs/dbraw/zinc/11/54/71/1075115471.db2.gz WLDVVEAYRXTTQV-UHFFFAOYSA-N -1 1 423.267 1.848 20 0 HDADMM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)CC3)cc1 ZINC000675440090 1075146877 /nfs/dbraw/zinc/14/68/77/1075146877.db2.gz QWSPSMYQBAQLQC-UHFFFAOYSA-N -1 1 401.488 1.794 20 0 HDADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)o1 ZINC000675564189 1075204299 /nfs/dbraw/zinc/20/42/99/1075204299.db2.gz VHGSSQZKBIDAKW-CQSZACIVSA-N -1 1 411.524 1.877 20 0 HDADMM Cc1cc(Br)cc(S(=O)(=O)[N-]c2cccc(NC(=O)C(N)=O)c2)c1 ZINC000509376081 1075308193 /nfs/dbraw/zinc/30/81/93/1075308193.db2.gz NLFRHDLSLFUFFC-UHFFFAOYSA-N -1 1 412.265 1.982 20 0 HDADMM COCCCn1cc(C)c(NC(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)n1 ZINC001129135837 1075309532 /nfs/dbraw/zinc/30/95/32/1075309532.db2.gz CVUGGFNHTIJDHT-UHFFFAOYSA-N -1 1 418.498 1.440 20 0 HDADMM COc1cc(NC(=O)Nc2nc3nc(C)cc(C)n3n2)ccc1[N-]S(C)(=O)=O ZINC000508041135 1075325505 /nfs/dbraw/zinc/32/55/05/1075325505.db2.gz BTQYOHDRRNRWKY-UHFFFAOYSA-N -1 1 405.440 1.765 20 0 HDADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCCC2N=NC(=S)N2C2CC2)o1 ZINC000731443503 1075340989 /nfs/dbraw/zinc/34/09/89/1075340989.db2.gz HYXPTDGWGGSOMN-UHFFFAOYSA-N -1 1 413.525 1.544 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCC(=O)NC(=O)N[C@H]1CCCC[C@@H]1C ZINC000731447785 1075345536 /nfs/dbraw/zinc/34/55/36/1075345536.db2.gz LCITXLSOLXBYTC-NHYWBVRUSA-N -1 1 417.466 1.542 20 0 HDADMM O=C1NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(N4CCOCC4)c(F)c3)ccc21 ZINC000731596704 1075405422 /nfs/dbraw/zinc/40/54/22/1075405422.db2.gz WVGJXGBPQPMNCH-UHFFFAOYSA-N -1 1 405.407 1.347 20 0 HDADMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)Cc2cc(Cl)ccc2F)C(=O)N1c1cnn(C)c1 ZINC000676235434 1075441222 /nfs/dbraw/zinc/44/12/22/1075441222.db2.gz IXBWFYCZPCFTAG-MEBBXXQBSA-N -1 1 400.863 1.826 20 0 HDADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(C3N=NC(=S)N3C(C)C)CC2)o1 ZINC000731637617 1075441150 /nfs/dbraw/zinc/44/11/50/1075441150.db2.gz WCILJBCTWGBJIH-UHFFFAOYSA-N -1 1 413.525 1.669 20 0 HDADMM C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@H]1CN(C)CCO1 ZINC000676257436 1075453306 /nfs/dbraw/zinc/45/33/06/1075453306.db2.gz VAACVLRDLBNELV-DNVCBOLYSA-N -1 1 403.504 1.936 20 0 HDADMM Cc1sc(C(N)=O)cc1[N-]S(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000676352166 1075528330 /nfs/dbraw/zinc/52/83/30/1075528330.db2.gz YNNGCAKHWQNPEX-UHFFFAOYSA-N -1 1 407.470 1.467 20 0 HDADMM O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000731852729 1075534335 /nfs/dbraw/zinc/53/43/35/1075534335.db2.gz FAPZXSRHUWXAHE-MSOLQXFVSA-N -1 1 406.446 1.661 20 0 HDADMM O=C([C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000731853753 1075535369 /nfs/dbraw/zinc/53/53/69/1075535369.db2.gz PDVTWXNAQKWVKO-TZMCWYRMSA-N -1 1 424.383 1.167 20 0 HDADMM COc1ccc(-c2nc(CC(=O)N3CCO[C@H](c4nn[n-]n4)C3)cs2)cc1OC ZINC000731854767 1075536306 /nfs/dbraw/zinc/53/63/06/1075536306.db2.gz CVADYSPGRSLOPV-HNNXBMFYSA-N -1 1 416.463 1.483 20 0 HDADMM O=C(c1cccc2ccccc21)N1CCC(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)CC1 ZINC000731855536 1075537004 /nfs/dbraw/zinc/53/70/04/1075537004.db2.gz ROUMEGSRKOWRNG-LJQANCHMSA-N -1 1 420.473 1.805 20 0 HDADMM O=C(c1cc(Cl)ccc1I)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000731855337 1075537031 /nfs/dbraw/zinc/53/70/31/1075537031.db2.gz ZJUQHKOSHBPWNI-SNVBAGLBSA-N -1 1 419.610 1.671 20 0 HDADMM O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000731855166 1075537359 /nfs/dbraw/zinc/53/73/59/1075537359.db2.gz UKSWHPYGYNQORJ-LLVKDONJSA-N -1 1 406.859 1.000 20 0 HDADMM Cc1cccn2cc(COc3ccccc3C(=O)N3CCO[C@@H](c4nn[n-]n4)C3)nc12 ZINC000731855021 1075537632 /nfs/dbraw/zinc/53/76/32/1075537632.db2.gz AYIGPQFAUZNOBH-GOSISDBHSA-N -1 1 419.445 1.949 20 0 HDADMM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2cccc([C@@H]3CNC(=O)C3)c2)cc1 ZINC000676410363 1075540533 /nfs/dbraw/zinc/54/05/33/1075540533.db2.gz BVULVFHTHGBKCX-KRWDZBQOSA-N -1 1 401.488 1.770 20 0 HDADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NC2(C(N)=O)CCOCC2)cc1 ZINC000676398909 1075543604 /nfs/dbraw/zinc/54/36/04/1075543604.db2.gz NOKUJVPAPYGKJW-UHFFFAOYSA-N -1 1 417.487 1.560 20 0 HDADMM O=C(N1CCO[C@@H](c2nn[n-]n2)C1)C1(c2ccc(Br)cc2)CCOCC1 ZINC000731880566 1075550839 /nfs/dbraw/zinc/55/08/39/1075550839.db2.gz PYEAKUBNPVJLQN-CQSZACIVSA-N -1 1 422.283 1.611 20 0 HDADMM CC[C@H](C(=O)N1CCO[C@H](c2nn[n-]n2)C1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000731880747 1075552000 /nfs/dbraw/zinc/55/20/00/1075552000.db2.gz XQWRXAGZPULAPB-OLZOCXBDSA-N -1 1 403.834 1.058 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC[C@@H](C2N=NC(=S)N2C)C1 ZINC000732077008 1075616304 /nfs/dbraw/zinc/61/63/04/1075616304.db2.gz BOTDSDDCXCXIID-GFCCVEGCSA-N -1 1 401.496 1.418 20 0 HDADMM CCCc1c(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)nnn1-c1cccc(Cl)c1 ZINC000732090787 1075624348 /nfs/dbraw/zinc/62/43/48/1075624348.db2.gz UGXAMRZPMRDPFM-AWEZNQCLSA-N -1 1 402.846 1.600 20 0 HDADMM O=C(c1nc(C2CC2)n(-c2ccccc2Cl)n1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732090887 1075624500 /nfs/dbraw/zinc/62/45/00/1075624500.db2.gz PRZQWZQMQMKLQS-CYBMUJFWSA-N -1 1 400.830 1.525 20 0 HDADMM O=C(c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732090379 1075624839 /nfs/dbraw/zinc/62/48/39/1075624839.db2.gz VPPJZTVMRGSEFG-GFCCVEGCSA-N -1 1 411.319 1.757 20 0 HDADMM CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732090392 1075624887 /nfs/dbraw/zinc/62/48/87/1075624887.db2.gz VVJBHODPAPWTMA-GJZGRUSLSA-N -1 1 402.455 1.236 20 0 HDADMM O=C(c1nnn(-c2ccc(F)cc2)c1C(F)(F)F)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732090403 1075624938 /nfs/dbraw/zinc/62/49/38/1075624938.db2.gz IUZNPUMSXHMLSG-JTQLQIEISA-N -1 1 412.307 1.152 20 0 HDADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCCc3nc(N)no3)c2)cc1 ZINC000461550161 1075624926 /nfs/dbraw/zinc/62/49/26/1075624926.db2.gz ZXKSYKWQBYUWMV-UHFFFAOYSA-N -1 1 417.447 1.434 20 0 HDADMM O=C(CC1CCCCC1)NC1CCC(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)CC1 ZINC000732091573 1075626524 /nfs/dbraw/zinc/62/65/24/1075626524.db2.gz JJOJFXUYVDTHOE-JCYILVPMSA-N -1 1 404.515 1.745 20 0 HDADMM Cc1c(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)nnn1-c1cccc(Br)c1 ZINC000732091438 1075627011 /nfs/dbraw/zinc/62/70/11/1075627011.db2.gz DHXOMPWSZAXIDP-LBPRGKRZSA-N -1 1 419.243 1.065 20 0 HDADMM CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732091205 1075627612 /nfs/dbraw/zinc/62/76/12/1075627612.db2.gz VGLCZDOYPRJVNM-CVEARBPZSA-N -1 1 414.466 1.462 20 0 HDADMM COc1ccc(CN(C)C(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)cn1 ZINC000676668443 1075637407 /nfs/dbraw/zinc/63/74/07/1075637407.db2.gz JWQZYONCGPCZDG-UHFFFAOYSA-N -1 1 401.467 1.322 20 0 HDADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NCCc3nc(N)no3)cc2)ccc1F ZINC000461541450 1075743830 /nfs/dbraw/zinc/74/38/30/1075743830.db2.gz DPQPOOBOZUCYEI-UHFFFAOYSA-N -1 1 419.438 1.873 20 0 HDADMM Cn1cnc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)c2)n1 ZINC000509261107 1075748713 /nfs/dbraw/zinc/74/87/13/1075748713.db2.gz AHBQRNUMORTIHE-UHFFFAOYSA-N -1 1 415.431 1.275 20 0 HDADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)NCCc2nnc(N)o2)c1 ZINC000507153471 1075752913 /nfs/dbraw/zinc/75/29/13/1075752913.db2.gz HQZQLSHZOPEEIF-UHFFFAOYSA-N -1 1 419.438 1.873 20 0 HDADMM Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000643639795 1075758324 /nfs/dbraw/zinc/75/83/24/1075758324.db2.gz GJXPONWMBRUPED-UHFFFAOYSA-N -1 1 422.489 2.083 20 0 HDADMM Nc1noc(CCNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)n1 ZINC000480114699 1075759936 /nfs/dbraw/zinc/75/99/36/1075759936.db2.gz YMIVEGYIRZCVJR-UHFFFAOYSA-N -1 1 423.401 1.703 20 0 HDADMM Cn1cc([C@H]2[C@H](C(=O)N3CCC(c4n[n-]c(=O)o4)CC3)CC(=O)N2C(C)(C)C)cn1 ZINC000509274734 1075800179 /nfs/dbraw/zinc/80/01/79/1075800179.db2.gz ASGIJEVUYLXFEA-ZBFHGGJFSA-N -1 1 416.482 1.603 20 0 HDADMM O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1c([O-])cccc1Cl ZINC000143362554 1075810910 /nfs/dbraw/zinc/81/09/10/1075810910.db2.gz POJQWNUFCAQDFQ-UHFFFAOYSA-N -1 1 410.879 1.997 20 0 HDADMM CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cc(C(N)=O)sc3C)ccc2O1 ZINC000611027985 1075814125 /nfs/dbraw/zinc/81/41/25/1075814125.db2.gz GNNNYGJQUWCRAS-AWEZNQCLSA-N -1 1 410.473 1.823 20 0 HDADMM C[C@H]1CN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)c2)C[C@@H]1O ZINC000509277282 1075816917 /nfs/dbraw/zinc/81/69/17/1075816917.db2.gz BCHFANZXHYQKSE-GUYCJALGSA-N -1 1 418.471 1.711 20 0 HDADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cccc(Nc3ccc(C)nn3)c2)c1 ZINC000461458490 1075847058 /nfs/dbraw/zinc/84/70/58/1075847058.db2.gz XPKWZHAPVKGSIV-UHFFFAOYSA-N -1 1 413.459 2.395 20 0 HDADMM Cc1ncc(/C=C\C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2[O-])s1 ZINC000732839489 1075883295 /nfs/dbraw/zinc/88/32/95/1075883295.db2.gz QCUZPCGCTJWDBQ-DJWKRKHSSA-N -1 1 409.489 1.830 20 0 HDADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)cc1 ZINC000017637673 1075894555 /nfs/dbraw/zinc/89/45/55/1075894555.db2.gz QYNOTCFIFYZQPN-OAHLLOKOSA-N -1 1 424.500 1.413 20 0 HDADMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)ccc1N1C(=O)CCC1=O ZINC000732951112 1075917537 /nfs/dbraw/zinc/91/75/37/1075917537.db2.gz GEHCSJCWUXOPEZ-UHFFFAOYSA-N -1 1 415.427 1.894 20 0 HDADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N3C(=O)CCC3=O)c(C)c2)cc1 ZINC000732952018 1075918261 /nfs/dbraw/zinc/91/82/61/1075918261.db2.gz XMRHIVGRPYCVBN-UHFFFAOYSA-N -1 1 401.444 1.809 20 0 HDADMM O=S(=O)([N-]CC1CCN(S(=O)(=O)C(F)F)CC1)c1cc(F)ccc1F ZINC000732984599 1075937836 /nfs/dbraw/zinc/93/78/36/1075937836.db2.gz AKUGOCUPCOZYGS-UHFFFAOYSA-N -1 1 404.407 1.508 20 0 HDADMM COC(=O)Cc1c(C(=O)OC)sc2[n-]c(CN3CC[C@H](C)[C@H](F)C3)nc(=O)c12 ZINC000611501709 1075949858 /nfs/dbraw/zinc/94/98/58/1075949858.db2.gz HJVFBQFCIYWIOJ-GXSJLCMTSA-N -1 1 411.455 1.667 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1F ZINC000733146915 1075982375 /nfs/dbraw/zinc/98/23/75/1075982375.db2.gz RAGIKUIUZPRJJC-UHFFFAOYSA-N -1 1 412.425 1.689 20 0 HDADMM Cn1cnnc1Sc1ccc(NC(=O)CCn2cc[n-]c(=O)c2=O)cc1Cl ZINC000733146147 1075982736 /nfs/dbraw/zinc/98/27/36/1075982736.db2.gz UQOXWXDKKMYRGR-UHFFFAOYSA-N -1 1 406.855 1.499 20 0 HDADMM COCC(=O)Nc1ccc(OC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)cc1 ZINC000733271508 1076026107 /nfs/dbraw/zinc/02/61/07/1076026107.db2.gz YLAXMEKRPKTTSC-UHFFFAOYSA-N -1 1 408.414 1.873 20 0 HDADMM CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000733360750 1076052215 /nfs/dbraw/zinc/05/22/15/1076052215.db2.gz PWZYWHJKYRRLIP-LBPRGKRZSA-N -1 1 409.468 1.283 20 0 HDADMM CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000733360750 1076052221 /nfs/dbraw/zinc/05/22/21/1076052221.db2.gz PWZYWHJKYRRLIP-LBPRGKRZSA-N -1 1 409.468 1.283 20 0 HDADMM COC(=O)Nc1cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)ccc1F ZINC000727360804 1076098626 /nfs/dbraw/zinc/09/86/26/1076098626.db2.gz KOCBZOPEXFBFKW-UHFFFAOYSA-N -1 1 408.367 1.335 20 0 HDADMM COC(=O)C[C@H]([N-]S(=O)(=O)/C=C/c1ccc(Br)cc1)C(=O)OC ZINC000727442558 1076122601 /nfs/dbraw/zinc/12/26/01/1076122601.db2.gz FISVYEBUNAMKMC-GUOLPTJISA-N -1 1 406.254 1.444 20 0 HDADMM CCOC(=O)[C@H]1CCCN(S(=O)(=O)[N-][C@H](C(=O)OC)c2cc(F)ccc2F)C1 ZINC000727758214 1076231413 /nfs/dbraw/zinc/23/14/13/1076231413.db2.gz TUHLEZVCIDZKJQ-NHYWBVRUSA-N -1 1 420.434 1.288 20 0 HDADMM CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)c3csc(=NC4CC4)[n-]3)C2)no1 ZINC000533157883 1076242262 /nfs/dbraw/zinc/24/22/62/1076242262.db2.gz AQXWHDLZPIEHKI-ZDUSSCGKSA-N -1 1 404.496 1.348 20 0 HDADMM CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)c3csc(=NC4CC4)[n-]3)C2)no1 ZINC000533157882 1076242352 /nfs/dbraw/zinc/24/23/52/1076242352.db2.gz AQXWHDLZPIEHKI-CYBMUJFWSA-N -1 1 404.496 1.348 20 0 HDADMM CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)c3cnc4nc(C)ccc4c3[O-])C2)no1 ZINC000533616087 1076244321 /nfs/dbraw/zinc/24/43/21/1076244321.db2.gz NWSWDEKWKZXDJN-AWEZNQCLSA-N -1 1 424.461 1.852 20 0 HDADMM CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)c3c[n-]c4nc(C)ccc4c3=O)C2)no1 ZINC000533616087 1076244324 /nfs/dbraw/zinc/24/43/24/1076244324.db2.gz NWSWDEKWKZXDJN-AWEZNQCLSA-N -1 1 424.461 1.852 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000727851348 1076271450 /nfs/dbraw/zinc/27/14/50/1076271450.db2.gz FTYGNCMZNKTXSY-ZDUSSCGKSA-N -1 1 421.295 1.332 20 0 HDADMM C[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)c1cc2c(cc1Br)OCCO2 ZINC000727852356 1076271792 /nfs/dbraw/zinc/27/17/92/1076271792.db2.gz SDWVLTPRMFNFHQ-JTQLQIEISA-N -1 1 424.251 1.338 20 0 HDADMM Cc1cc(Br)ccc1NC(=O)CCNC(=O)CCn1cc[n-]c(=O)c1=O ZINC000727854969 1076273476 /nfs/dbraw/zinc/27/34/76/1076273476.db2.gz VTCBFPMXROYDRV-UHFFFAOYSA-N -1 1 423.267 1.143 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C=Cc1ccc(NS(C)(=O)=O)cc1 ZINC000733983510 1076283009 /nfs/dbraw/zinc/28/30/09/1076283009.db2.gz ORBQVSIDGNNCAJ-RMKNXTFCSA-N -1 1 415.475 1.753 20 0 HDADMM COc1ccc(C2(CNC(=O)CCn3cc[n-]c(=O)c3=O)CCCCC2)cc1OC ZINC000733987549 1076284745 /nfs/dbraw/zinc/28/47/45/1076284745.db2.gz VHVMZYVPVACWLN-UHFFFAOYSA-N -1 1 415.490 1.962 20 0 HDADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)CCS(C)(=O)=O)cc1 ZINC000728026789 1076309444 /nfs/dbraw/zinc/30/94/44/1076309444.db2.gz CNTFCVYQUDUVBS-UHFFFAOYSA-N -1 1 410.517 1.912 20 0 HDADMM O=C(COC(=O)CN1Cc2ccccc2C1=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000730054754 1076428243 /nfs/dbraw/zinc/42/82/43/1076428243.db2.gz YATPHNGZSCFNMG-UHFFFAOYSA-N -1 1 418.352 1.744 20 0 HDADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)[C@H]2CSCN2C(=O)C2CCCC2)cc1 ZINC000730315184 1076530399 /nfs/dbraw/zinc/53/03/99/1076530399.db2.gz OJWMVPOGKLWGDA-MRXNPFEDSA-N -1 1 420.487 1.587 20 0 HDADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)[C@@H]2CSCN2C(=O)C(C)(C)C)cc1 ZINC000730324028 1076539603 /nfs/dbraw/zinc/53/96/03/1076539603.db2.gz SKNFNOASYZQUGG-AWEZNQCLSA-N -1 1 408.476 1.442 20 0 HDADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)[C@@H]2CSCN2C(=O)CC(C)(C)C)cc1 ZINC000730324757 1076540458 /nfs/dbraw/zinc/54/04/58/1076540458.db2.gz BEAPZSMYPKYWGF-HNNXBMFYSA-N -1 1 422.503 1.833 20 0 HDADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)OCCNS(C)(=O)=O)cc2)cc1 ZINC000730602846 1076612853 /nfs/dbraw/zinc/61/28/53/1076612853.db2.gz MKHRUQLPNLYXLR-UHFFFAOYSA-N -1 1 412.489 1.502 20 0 HDADMM Cc1nc(C(=O)N[C@]2(C(=O)[O-])CCc3ccccc32)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000675989454 939867066 /nfs/dbraw/zinc/86/70/66/939867066.db2.gz QMYDKCAZACNGGN-MRXNPFEDSA-N -1 1 421.339 1.369 20 0 HDADMM Cc1nc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000678988323 939869414 /nfs/dbraw/zinc/86/94/14/939869414.db2.gz UILNMTQMCGPBEG-SECBINFHSA-N -1 1 413.291 1.407 20 0 HDADMM Cc1cc(C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000673655311 1073583965 /nfs/dbraw/zinc/58/39/65/1073583965.db2.gz LZTNUSSUJVJHBT-GJZGRUSLSA-N -1 1 414.510 1.375 20 0 HDADMM Cn1cc(S(=O)(=O)[N-][C@@H](c2cccs2)c2ccc(F)cc2)c(=O)n(C)c1=O ZINC000015332864 1073608910 /nfs/dbraw/zinc/60/89/10/1073608910.db2.gz DVXNROXSYRKTEL-OAHLLOKOSA-N -1 1 409.464 1.353 20 0 HDADMM COc1ccc(NC(=O)N2CCN(C[C@H]3CCCO3)CC2)cc1[N-]S(C)(=O)=O ZINC000673810235 1073754532 /nfs/dbraw/zinc/75/45/32/1073754532.db2.gz NHBGYNKYSUJKPJ-OAHLLOKOSA-N -1 1 412.512 1.395 20 0 HDADMM NC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)c1 ZINC000029323507 1073793794 /nfs/dbraw/zinc/79/37/94/1073793794.db2.gz GHIRTHSLFLDBMU-UHFFFAOYSA-N -1 1 410.477 1.419 20 0 HDADMM O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])c1ccnc(O[C@@H]2CCOC2)c1 ZINC000543563256 1074110881 /nfs/dbraw/zinc/11/08/81/1074110881.db2.gz HVIKHBAZDHKJRR-CQSZACIVSA-N -1 1 419.459 1.648 20 0 HDADMM CCOC(=O)c1c[n-]c(NC(=O)[C@H](CSC)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)n1 ZINC001128846774 1074590219 /nfs/dbraw/zinc/59/02/19/1074590219.db2.gz GXWRVLVWXAAGCR-WZRBSPASSA-N -1 1 408.480 1.432 20 0 HDADMM CCOC(=O)c1c[n-]c(NC(=O)c2cc(Cn3cc(Br)cn3)on2)n1 ZINC001128847005 1074590260 /nfs/dbraw/zinc/59/02/60/1074590260.db2.gz IWKYAMCGHUOOCH-UHFFFAOYSA-N -1 1 409.200 1.834 20 0 HDADMM COC(=O)C[C@@H](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[N-]C(=O)C(F)(F)F)CC1 ZINC001128870890 1074610994 /nfs/dbraw/zinc/61/09/94/1074610994.db2.gz BDJOCMJMQVPNOG-GHJWDPDVSA-N -1 1 408.417 1.650 20 0 HDADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCc3ncn(C)n3)c2)cc1 ZINC000509325520 1075100756 /nfs/dbraw/zinc/10/07/56/1075100756.db2.gz CQORPKWBBNEVEI-UHFFFAOYSA-N -1 1 415.475 1.945 20 0 HDADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000509349781 1075197964 /nfs/dbraw/zinc/19/79/64/1075197964.db2.gz GVVRFZVMYKEDIU-OAHLLOKOSA-N -1 1 419.507 1.025 20 0 HDADMM NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(CCc3ccccc3)[nH]n2)cc1 ZINC000675547168 1075205926 /nfs/dbraw/zinc/20/59/26/1075205926.db2.gz OZOZADZBJDNJDD-UHFFFAOYSA-N -1 1 406.489 1.643 20 0 HDADMM Cc1cc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)c2)nn1C ZINC000439607635 1075238252 /nfs/dbraw/zinc/23/82/52/1075238252.db2.gz SZFGNPJAWVWCGY-UHFFFAOYSA-N -1 1 414.443 2.510 20 0 HDADMM COCCN1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)C1 ZINC000675622393 1075241602 /nfs/dbraw/zinc/24/16/02/1075241602.db2.gz DPDPARLTZSOYTD-OAHLLOKOSA-N -1 1 424.548 1.785 20 0 HDADMM CO[C@@H]1C[C@H](N(C)C(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)C12CCC2 ZINC001129036383 1075248589 /nfs/dbraw/zinc/24/85/89/1075248589.db2.gz XASWBSKZOOBOFN-DLBZAZTESA-N -1 1 404.511 1.676 20 0 HDADMM Cn1nccc1[C@H]1C[C@H](NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CCO1 ZINC001129066100 1075277895 /nfs/dbraw/zinc/27/78/95/1075277895.db2.gz DNEHUXVEPHVEDR-IUODEOHRSA-N -1 1 410.496 1.740 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCC(=O)NCCO[C@@H]1CCCC[C@@H]1C ZINC000731448296 1075344418 /nfs/dbraw/zinc/34/44/18/1075344418.db2.gz ICHNYXZULFIIBN-SUMWQHHRSA-N -1 1 418.494 1.849 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCC(=O)NCCN1CCc2ccccc21 ZINC000731448158 1075344819 /nfs/dbraw/zinc/34/48/19/1075344819.db2.gz YRIQWPYQRYJVKJ-UHFFFAOYSA-N -1 1 423.473 1.316 20 0 HDADMM NC(=O)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c1 ZINC000509380637 1075346834 /nfs/dbraw/zinc/34/68/34/1075346834.db2.gz WRGUZUCZKMVEKY-UHFFFAOYSA-N -1 1 402.432 1.186 20 0 HDADMM CC(=O)Nc1cc(S(=O)(=O)N2CCCc3cc(S(C)(=O)=O)ccc32)ccc1[O-] ZINC000543656692 1075375529 /nfs/dbraw/zinc/37/55/29/1075375529.db2.gz HCAJNCFALKFZJO-UHFFFAOYSA-N -1 1 424.500 1.896 20 0 HDADMM COC(=O)c1cc(I)cc([N-]S(=O)(=O)C[C@H](C)OC)c1 ZINC000509388012 1075417403 /nfs/dbraw/zinc/41/74/03/1075417403.db2.gz XUVVNUCHTVXOKB-QMMMGPOBSA-N -1 1 413.233 1.854 20 0 HDADMM COc1ccc(NC(=O)Nc2cc([C@H]3CCCOC3)[nH]n2)cc1[N-]S(C)(=O)=O ZINC000467933486 1075440314 /nfs/dbraw/zinc/44/03/14/1075440314.db2.gz MGQZNZYCACEXLS-NSHDSACASA-N -1 1 409.468 2.328 20 0 HDADMM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)nc2C)cc1 ZINC000676236053 1075440536 /nfs/dbraw/zinc/44/05/36/1075440536.db2.gz MZVXUVZXUYVOHJ-UHFFFAOYSA-N -1 1 418.519 1.706 20 0 HDADMM C[C@H]1C[C@H]([N-]S(=O)(=O)Cc2cc(Cl)ccc2F)C(=O)N1c1cnn(C)c1 ZINC000676235433 1075441234 /nfs/dbraw/zinc/44/12/34/1075441234.db2.gz IXBWFYCZPCFTAG-BONVTDFDSA-N -1 1 400.863 1.826 20 0 HDADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C2CCN(C(=O)NC(C)(C)C)CC2)o1 ZINC000543672366 1075523805 /nfs/dbraw/zinc/52/38/05/1075523805.db2.gz AZKLPIVEMUCVDA-UHFFFAOYSA-N -1 1 401.485 1.707 20 0 HDADMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNc1nc(-c2cccnc2)nc(C)c1C ZINC000438880328 1075525737 /nfs/dbraw/zinc/52/57/37/1075525737.db2.gz ABUSSLBYAUSUNZ-UHFFFAOYSA-N -1 1 420.520 2.016 20 0 HDADMM COc1ccc(-c2nc(CC(=O)N3CCO[C@@H](c4nn[n-]n4)C3)cs2)cc1OC ZINC000731854768 1075536683 /nfs/dbraw/zinc/53/66/83/1075536683.db2.gz CVADYSPGRSLOPV-OAHLLOKOSA-N -1 1 416.463 1.483 20 0 HDADMM O=C(c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000731855627 1075536745 /nfs/dbraw/zinc/53/67/45/1075536745.db2.gz XDJVYFFSOLMSRG-OAHLLOKOSA-N -1 1 401.377 1.366 20 0 HDADMM O=C(c1nc(-c2cccs2)n(-c2ccccc2)n1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000731855423 1075537657 /nfs/dbraw/zinc/53/76/57/1075537657.db2.gz LVIFYXKPVUAPBV-ZDUSSCGKSA-N -1 1 408.447 1.723 20 0 HDADMM Cc1ccc(-n2ncc(C(=O)N3CCO[C@@H](c4nn[n-]n4)C3)c2C(F)(F)F)cc1 ZINC000731855112 1075537945 /nfs/dbraw/zinc/53/79/45/1075537945.db2.gz RJIWMFOODVEJBH-CYBMUJFWSA-N -1 1 407.356 1.926 20 0 HDADMM C[C@H](CNC(=O)CCn1cc[n-]c(=O)c1=O)Sc1ccc(Br)cc1 ZINC000731839409 1075545123 /nfs/dbraw/zinc/54/51/23/1075545123.db2.gz XJTGIFXRSOIDIV-LLVKDONJSA-N -1 1 412.309 1.986 20 0 HDADMM CCCCOc1ccc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1Cl ZINC000466734395 1075593589 /nfs/dbraw/zinc/59/35/89/1075593589.db2.gz ILQPHTLEUKCDHX-UHFFFAOYSA-N -1 1 415.899 1.395 20 0 HDADMM CNC(=O)c1cncc(/C=C\C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)c1 ZINC000732056933 1075596763 /nfs/dbraw/zinc/59/67/63/1075596763.db2.gz YDIVKCYUENMWKF-DAXSKMNVSA-N -1 1 404.448 1.473 20 0 HDADMM C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732092370 1075608818 /nfs/dbraw/zinc/60/88/18/1075608818.db2.gz YRFIKFHJKCKBRZ-PRHODGIISA-N -1 1 416.663 1.983 20 0 HDADMM C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732092374 1075608852 /nfs/dbraw/zinc/60/88/52/1075608852.db2.gz YRFIKFHJKCKBRZ-UFBFGSQYSA-N -1 1 416.663 1.983 20 0 HDADMM CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732090827 1075624436 /nfs/dbraw/zinc/62/44/36/1075624436.db2.gz VPAKCJMFHRPLAF-UONOGXRCSA-N -1 1 424.914 1.305 20 0 HDADMM O=C(Nc1cccc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)c1)[C@H]1Cc2ccccc2O1 ZINC000732090404 1075624916 /nfs/dbraw/zinc/62/49/16/1075624916.db2.gz VXFRVZOHXUPHEZ-QZTJIDSGSA-N -1 1 420.429 1.356 20 0 HDADMM CCOc1ccc(C(=O)CCC(=O)N2CCO[C@H](c3nn[n-]n3)C2)cc1OCC ZINC000732091824 1075625649 /nfs/dbraw/zinc/62/56/49/1075625649.db2.gz RLGPVDHKPIGJTO-KRWDZBQOSA-N -1 1 403.439 1.560 20 0 HDADMM O=C([C@H]1CCCN(c2ncccc2C(F)(F)F)C1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732090969 1075625810 /nfs/dbraw/zinc/62/58/10/1075625810.db2.gz WUFLCLJTPPPIBJ-WCQYABFASA-N -1 1 411.388 1.430 20 0 HDADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NCc2nnc(N)o2)c1 ZINC000552436335 1075723263 /nfs/dbraw/zinc/72/32/63/1075723263.db2.gz YEJLSBTXVMPBIM-UHFFFAOYSA-N -1 1 401.448 1.999 20 0 HDADMM Cc1onc(N)c1S(=O)(=O)[N-]C(C)(C)COc1ncccc1Br ZINC000584081137 1075725375 /nfs/dbraw/zinc/72/53/75/1075725375.db2.gz IXLYUYMBGKMGQF-UHFFFAOYSA-N -1 1 405.274 1.859 20 0 HDADMM CN(C1CCN(C(=O)Cn2c(=S)[n-]nc2-c2cccs2)CC1)S(C)(=O)=O ZINC000143118105 1075808264 /nfs/dbraw/zinc/80/82/64/1075808264.db2.gz VUJYBZOFGZVKNW-UHFFFAOYSA-N -1 1 415.566 1.552 20 0 HDADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)o1 ZINC000143335578 1075810925 /nfs/dbraw/zinc/81/09/25/1075810925.db2.gz HBCSZHCIQYERJD-ZDUSSCGKSA-N -1 1 415.512 1.907 20 0 HDADMM CCOC(=O)[C@@]1([N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)CCc2ccccc21 ZINC000611032931 1075815391 /nfs/dbraw/zinc/81/53/91/1075815391.db2.gz PIILJSJDPOTIHP-HNAYVOBHSA-N -1 1 405.476 1.528 20 0 HDADMM CS(=O)(=O)c1cccc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])c1 ZINC000017360371 1075821554 /nfs/dbraw/zinc/82/15/54/1075821554.db2.gz PAGPTXIPXLVDHP-UHFFFAOYSA-N -1 1 424.500 1.833 20 0 HDADMM COC(=O)C1CCC([N-]S(=O)(=O)c2c(F)cc(OC)cc2F)(C(=O)OC)CC1 ZINC000611278454 1075890894 /nfs/dbraw/zinc/89/08/94/1075890894.db2.gz FZNHGNMUUZJIPP-UHFFFAOYSA-N -1 1 421.418 1.527 20 0 HDADMM COC(=O)c1ccc(OC)cc1NS(=O)(=O)c1ccc(OC)c(CC(=O)[O-])c1 ZINC000611371744 1075916089 /nfs/dbraw/zinc/91/60/89/1075916089.db2.gz XIIMJDZZJWWEGW-UHFFFAOYSA-N -1 1 409.416 1.918 20 0 HDADMM CS(=O)(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CC1 ZINC000017815893 1075937729 /nfs/dbraw/zinc/93/77/29/1075937729.db2.gz GUMZCSZZPYCWEI-UHFFFAOYSA-N -1 1 423.516 1.205 20 0 HDADMM Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CCn2cc[n-]c(=O)c2=O)c(C)c1 ZINC000733147462 1075983142 /nfs/dbraw/zinc/98/31/42/1075983142.db2.gz OWJGJIOFMJBMBQ-HNNXBMFYSA-N -1 1 402.476 1.084 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)Nc1cccc(OCc2cn3ccccc3n2)c1 ZINC000733150793 1075985806 /nfs/dbraw/zinc/98/58/06/1075985806.db2.gz VOJKUDONJAFQJU-UHFFFAOYSA-N -1 1 405.414 1.792 20 0 HDADMM CCOc1cccc2cc([C@H](C)[N-]S(=O)(=O)c3cn(C)c(=O)n(C)c3=O)oc21 ZINC000052794882 1076028611 /nfs/dbraw/zinc/02/86/11/1076028611.db2.gz OKJCFZKOEUXZCF-NSHDSACASA-N -1 1 407.448 1.268 20 0 HDADMM CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000733360749 1076052243 /nfs/dbraw/zinc/05/22/43/1076052243.db2.gz PWZYWHJKYRRLIP-GFCCVEGCSA-N -1 1 409.468 1.283 20 0 HDADMM CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000733360749 1076052249 /nfs/dbraw/zinc/05/22/49/1076052249.db2.gz PWZYWHJKYRRLIP-GFCCVEGCSA-N -1 1 409.468 1.283 20 0 HDADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)OCc2nnnn2C)c1 ZINC000733380154 1076062642 /nfs/dbraw/zinc/06/26/42/1076062642.db2.gz OCYFQAUBQBHWLH-UHFFFAOYSA-N -1 1 405.411 1.815 20 0 HDADMM COC(=O)C[C@H]([N-]S(=O)(=O)/C=C\c1ccc(Br)cc1)C(=O)OC ZINC000727442560 1076122587 /nfs/dbraw/zinc/12/25/87/1076122587.db2.gz FISVYEBUNAMKMC-KRZKBDHCSA-N -1 1 406.254 1.444 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000727752693 1076226776 /nfs/dbraw/zinc/22/67/76/1076226776.db2.gz VOMXHPNLEJHJDV-UHFFFAOYSA-N -1 1 423.267 1.165 20 0 HDADMM COc1cc([C@H](C)NC(=O)CCn2cc[n-]c(=O)c2=O)ccc1OCc1ccncc1 ZINC000727851699 1076271180 /nfs/dbraw/zinc/27/11/80/1076271180.db2.gz OAPMXDSANWSPHQ-HNNXBMFYSA-N -1 1 424.457 1.787 20 0 HDADMM COc1ccc(C)cc1C1(CNC(=O)CCn2cc[n-]c(=O)c2=O)CCOCC1 ZINC000727851840 1076271648 /nfs/dbraw/zinc/27/16/48/1076271648.db2.gz PHLXVRQTGGAEMA-UHFFFAOYSA-N -1 1 401.463 1.108 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000727852310 1076271748 /nfs/dbraw/zinc/27/17/48/1076271748.db2.gz RKSOEYPLTTVTAD-UHFFFAOYSA-N -1 1 406.280 1.927 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)Nc1cc(-c2ccc(Br)s2)[nH]n1 ZINC000727852331 1076271778 /nfs/dbraw/zinc/27/17/78/1076271778.db2.gz TUPLXIXIDYTARD-UHFFFAOYSA-N -1 1 410.253 1.780 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000727853550 1076272125 /nfs/dbraw/zinc/27/21/25/1076272125.db2.gz LLFJIRTTWRWDJB-UHFFFAOYSA-N -1 1 419.869 1.347 20 0 HDADMM Cc1c(NC(=O)CCn2cc[n-]c(=O)c2=O)cccc1C(=O)N1CCSCC1 ZINC000727853837 1076273011 /nfs/dbraw/zinc/27/30/11/1076273011.db2.gz PQXDCIPLKKILPY-UHFFFAOYSA-N -1 1 402.476 1.063 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000727853835 1076273184 /nfs/dbraw/zinc/27/31/84/1076273184.db2.gz PNLIBNIBHXRPLU-UHFFFAOYSA-N -1 1 410.405 1.635 20 0 HDADMM CCCCC(=O)N1CSC[C@H]1C(=O)OCC(=O)[N-]C(=O)c1ccc(OC)cc1 ZINC000730330740 1076543357 /nfs/dbraw/zinc/54/33/57/1076543357.db2.gz VWPYLKKNUOCPKO-HNNXBMFYSA-N -1 1 408.476 1.587 20 0 HDADMM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000730541630 1076586875 /nfs/dbraw/zinc/58/68/75/1076586875.db2.gz ORNAEIWLMIJGBA-UHFFFAOYSA-N -1 1 404.434 1.263 20 0 HDADMM Cc1cccc(N2C(=O)N[C@@H](CCC(=O)N[C@H](c3nn[n-]n3)c3ccccc3)C2=O)c1 ZINC000730833175 1076674237 /nfs/dbraw/zinc/67/42/37/1076674237.db2.gz UVLFOHFYPUUTFZ-WMZOPIPTSA-N -1 1 419.445 1.619 20 0 HDADMM COC(=O)[C@](C)([N-]S(=O)(=O)c1cn(C)c(C)n1)c1cccc(Br)c1 ZINC000731040129 1076716790 /nfs/dbraw/zinc/71/67/90/1076716790.db2.gz AZTWBJRMICKCBM-OAHLLOKOSA-N -1 1 416.297 1.858 20 0 HDADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(N3C(=O)CN(C)C3=O)c2)c1C ZINC000731179195 1076745100 /nfs/dbraw/zinc/74/51/00/1076745100.db2.gz XHIFMCARNRKQTI-UHFFFAOYSA-N -1 1 417.443 1.981 20 0 HDADMM Cc1cc2c(c(N3CC[C@]4(C3)CN(c3cccc(F)c3)C(=O)CN4C)n1)C(=O)[N-]C2=O ZINC001165005874 722267757 /nfs/dbraw/zinc/26/77/57/722267757.db2.gz FHWOYXLCEQARPB-QFIPXVFZSA-N -1 1 423.448 1.340 20 0 HDADMM O=C([O-])[C@@H](NC(=O)NCCCCN1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000780550716 939132625 /nfs/dbraw/zinc/13/26/25/939132625.db2.gz BKGOTDCCTUYDGR-SFHVURJKSA-N -1 1 412.494 1.504 20 0 HDADMM CN1CCN(c2ccc(CNC(=O)NC3(C(=O)[O-])Cc4ccccc4C3)cn2)CC1 ZINC001262174200 939826290 /nfs/dbraw/zinc/82/62/90/939826290.db2.gz KSIZMFSWTJWQKS-UHFFFAOYSA-N -1 1 409.490 1.255 20 0 HDADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCN(C(=O)N2CCCC2)CC1 ZINC000625111228 1073502204 /nfs/dbraw/zinc/50/22/04/1073502204.db2.gz JBORNZXWRRAOJR-UHFFFAOYSA-N -1 1 424.505 1.845 20 0 HDADMM CO[C@H](C)CS(=O)(=O)[N-]c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000509103817 1073533606 /nfs/dbraw/zinc/53/36/06/1073533606.db2.gz QSWUTGCSJQXZSJ-LLVKDONJSA-N -1 1 412.917 1.138 20 0 HDADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)Cn3ccc(C(F)(F)F)n3)CC2)n1 ZINC000509153592 1073763994 /nfs/dbraw/zinc/76/39/94/1073763994.db2.gz NXOMTIDQMAAJMT-UHFFFAOYSA-N -1 1 400.361 1.603 20 0 HDADMM O=C(NCc1nn[n-]n1)c1cc(-c2cccnc2)nc2c1cnn2Cc1cccnc1 ZINC000673837160 1073811646 /nfs/dbraw/zinc/81/16/46/1073811646.db2.gz DQRIWRJHCGFTHW-UHFFFAOYSA-N -1 1 412.417 1.380 20 0 HDADMM O=C(NCc1c[nH]nn1)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000673948073 1073919454 /nfs/dbraw/zinc/91/94/54/1073919454.db2.gz XHZHBKBTXWDMHG-UHFFFAOYSA-N -1 1 415.431 1.307 20 0 HDADMM COc1cc(NC(=O)C(=O)N2CCC[C@@]2(C)CCCO)ccc1[N-]S(C)(=O)=O ZINC000543528718 1074017812 /nfs/dbraw/zinc/01/78/12/1074017812.db2.gz LAUBJNBMHSJFER-SFHVURJKSA-N -1 1 413.496 1.159 20 0 HDADMM CO[C@@H](C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])c1ccccc1 ZINC000509215645 1074152753 /nfs/dbraw/zinc/15/27/53/1074152753.db2.gz ODJGHQCJHVSOBG-GOSISDBHSA-N -1 1 406.460 1.739 20 0 HDADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3cc(Cn4cccn4)on3)c2)n1 ZINC000509223787 1074275347 /nfs/dbraw/zinc/27/53/47/1074275347.db2.gz HMVRZLKWSWLSOL-UHFFFAOYSA-N -1 1 421.417 1.811 20 0 HDADMM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)OCCOCCO)ccc2C)cc1 ZINC000785475148 1074505351 /nfs/dbraw/zinc/50/53/51/1074505351.db2.gz ZGQOMCQLLDCLGU-UHFFFAOYSA-N -1 1 409.460 1.970 20 0 HDADMM CC(C)Cc1noc(-c2cc(Cl)ccc2NC(=O)C(=O)NCc2nn[n-]n2)n1 ZINC000674682197 1074521874 /nfs/dbraw/zinc/52/18/74/1074521874.db2.gz TVXJTVUYFUHVBZ-UHFFFAOYSA-N -1 1 404.818 1.357 20 0 HDADMM CN(C)C(=O)c1cc(NC(=O)C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)ccn1 ZINC000674762007 1074555576 /nfs/dbraw/zinc/55/55/76/1074555576.db2.gz FAEMSVBLIQQTPJ-UHFFFAOYSA-N -1 1 424.457 1.549 20 0 HDADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@H](O)C[C@H](O)C3)cc2)cc1 ZINC000674806247 1074572445 /nfs/dbraw/zinc/57/24/45/1074572445.db2.gz NZIRMUYBRHTEHY-CALCHBBNSA-N -1 1 420.487 1.454 20 0 HDADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@H](O)C[C@H](O)C3)cc2)cc1 ZINC000674805879 1074573073 /nfs/dbraw/zinc/57/30/73/1074573073.db2.gz HUTULWZCVITMIV-IYBDPMFKSA-N -1 1 406.460 1.064 20 0 HDADMM Cc1ccn2c(c1)nnc2[N-]C(=O)c1sccc1S(=O)(=O)N1CCOCC1 ZINC000674839875 1074585900 /nfs/dbraw/zinc/58/59/00/1074585900.db2.gz DHDPIAOSKNYITH-UHFFFAOYSA-N -1 1 407.477 1.372 20 0 HDADMM CC(C)(C)C(=O)NCCC(=O)N1CCC([C@@H]2OCC[C@H]2[N-]C(=O)C(F)(F)F)CC1 ZINC001128973501 1074772632 /nfs/dbraw/zinc/77/26/32/1074772632.db2.gz FTTSKYVOVYWUGY-HIFRSBDPSA-N -1 1 421.460 1.613 20 0 HDADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)NCc2ncn(C)n2)c1 ZINC000509325036 1075091665 /nfs/dbraw/zinc/09/16/65/1075091665.db2.gz AJWSEAHOPOSGEG-UHFFFAOYSA-N -1 1 403.439 1.993 20 0 HDADMM COc1ccc(CN2CCCN(C(=O)c3nc4ccccc4c(=O)[n-]3)CC2=O)cc1 ZINC000466690319 1075231163 /nfs/dbraw/zinc/23/11/63/1075231163.db2.gz PSZBHWZKBBIQJU-UHFFFAOYSA-N -1 1 406.442 1.806 20 0 HDADMM CC(C)[C@H]1c2ccccc2CCN1C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000675686642 1075254569 /nfs/dbraw/zinc/25/45/69/1075254569.db2.gz FJQNGANZPAYUCK-SFHVURJKSA-N -1 1 405.476 1.439 20 0 HDADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)Nc3ncn(C4CCCCC4)n3)CC2)n1 ZINC000445104115 1075336054 /nfs/dbraw/zinc/33/60/54/1075336054.db2.gz GSLZJXVTGWKJHL-UHFFFAOYSA-N -1 1 416.486 2.490 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCC(=O)NCc1cc(F)cc(F)c1 ZINC000731446719 1075343590 /nfs/dbraw/zinc/34/35/90/1075343590.db2.gz CSRZGOTUVTXLOH-UHFFFAOYSA-N -1 1 404.373 1.732 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCC(=O)NCCO[C@@H]1CCCC[C@H]1C ZINC000731448293 1075344649 /nfs/dbraw/zinc/34/46/49/1075344649.db2.gz ICHNYXZULFIIBN-CXAGYDPISA-N -1 1 418.494 1.849 20 0 HDADMM COc1ccc(NC(=O)COC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)cc1OC ZINC000731447962 1075344727 /nfs/dbraw/zinc/34/47/27/1075344727.db2.gz RKEPPGWNSBJYLD-UHFFFAOYSA-N -1 1 414.418 1.793 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000731447828 1075345053 /nfs/dbraw/zinc/34/50/53/1075345053.db2.gz MERJHOKJCAETAU-HZPDHXFCSA-N -1 1 402.451 1.307 20 0 HDADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc3c2CCN3S(C)(=O)=O)c(C)c1 ZINC000543660501 1075406456 /nfs/dbraw/zinc/40/64/56/1075406456.db2.gz VBOTYVVISPPFCV-UHFFFAOYSA-N -1 1 424.500 1.905 20 0 HDADMM C[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N1CCC[C@H](CC(=O)[O-])C1 ZINC000676233765 1075449998 /nfs/dbraw/zinc/44/99/98/1075449998.db2.gz SXOAEWITVSGZFN-GHMZBOCLSA-N -1 1 401.385 1.734 20 0 HDADMM C[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)[C@@H]1CN(C)CCO1 ZINC000676256925 1075451632 /nfs/dbraw/zinc/45/16/32/1075451632.db2.gz JAMMHHXAVDBBEP-KXBFYZLASA-N -1 1 403.504 1.936 20 0 HDADMM COC(=O)CN1CCN(c2ccc([N-]S(=O)(=O)c3ccccc3OC)cc2)CC1 ZINC000731783930 1075524561 /nfs/dbraw/zinc/52/45/61/1075524561.db2.gz LSHCTLFQGHWUEY-UHFFFAOYSA-N -1 1 419.503 1.791 20 0 HDADMM Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3CCO[C@@H](c4nn[n-]n4)C3)c12 ZINC000731880333 1075551353 /nfs/dbraw/zinc/55/13/53/1075551353.db2.gz KJQNDCNBOTZIED-CYBMUJFWSA-N -1 1 410.463 1.732 20 0 HDADMM C=CC(=O)NCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)cc1 ZINC000731881882 1075553080 /nfs/dbraw/zinc/55/30/80/1075553080.db2.gz KZQWDKDONFEFLX-UHFFFAOYSA-N -1 1 417.487 1.918 20 0 HDADMM Cc1ccccc1C[C@H](CO)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000466731765 1075561496 /nfs/dbraw/zinc/56/14/96/1075561496.db2.gz SNIXCHHCYLGTBX-OAHLLOKOSA-N -1 1 416.496 1.388 20 0 HDADMM Cc1cc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)c2cnn(Cc3cccs3)c2n1 ZINC000732092074 1075608845 /nfs/dbraw/zinc/60/88/45/1075608845.db2.gz VUGLSNDCMXOMKU-OAHLLOKOSA-N -1 1 410.463 1.576 20 0 HDADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCC3(CO)COC3)cc2)cc1 ZINC000676621966 1075620961 /nfs/dbraw/zinc/62/09/61/1075620961.db2.gz MFYCPCBNDRNOLM-UHFFFAOYSA-N -1 1 418.471 1.429 20 0 HDADMM COc1ccc(C(=O)N[C@@H](C(=O)N2CCO[C@H](c3nn[n-]n3)C2)c2ccccc2)cc1 ZINC000732088903 1075621653 /nfs/dbraw/zinc/62/16/53/1075621653.db2.gz HQCMSZMUICOHPI-ZWKOTPCHSA-N -1 1 422.445 1.280 20 0 HDADMM O=C([C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732088418 1075622053 /nfs/dbraw/zinc/62/20/53/1075622053.db2.gz ARSYOESTLNKBHX-MFKMUULPSA-N -1 1 411.249 1.460 20 0 HDADMM Cc1ccccc1-n1ncc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)c1C(F)(F)F ZINC000732090304 1075625212 /nfs/dbraw/zinc/62/52/12/1075625212.db2.gz UTEVWUPYTOZRDK-ZDUSSCGKSA-N -1 1 407.356 1.926 20 0 HDADMM O=C(c1ccccc1OC(F)F)N1CCC[C@@H]1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732091703 1075626062 /nfs/dbraw/zinc/62/60/62/1075626062.db2.gz NUIAIYJLKVOFIZ-OCCSQVGLSA-N -1 1 422.392 1.006 20 0 HDADMM O=C(c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732091241 1075627138 /nfs/dbraw/zinc/62/71/38/1075627138.db2.gz WLSWUXIAJRXIBC-CYBMUJFWSA-N -1 1 410.356 1.559 20 0 HDADMM Cc1ccc(-n2cnnc2SCC(=O)N2CCO[C@H](c3nn[n-]n3)C2)cc1C ZINC000732091163 1075627525 /nfs/dbraw/zinc/62/75/25/1075627525.db2.gz TWLPQHSEPLTPKQ-AWEZNQCLSA-N -1 1 400.468 1.089 20 0 HDADMM Cc1nc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)nn1-c1c(Cl)cccc1Cl ZINC000732091171 1075627618 /nfs/dbraw/zinc/62/76/18/1075627618.db2.gz UATHCKYOGVUCQY-LLVKDONJSA-N -1 1 409.237 1.609 20 0 HDADMM CN([C@@H]1CCCc2c1cnn2C)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000676642249 1075631066 /nfs/dbraw/zinc/63/10/66/1075631066.db2.gz AKCCNKSZANLPKZ-OAHLLOKOSA-N -1 1 416.500 1.629 20 0 HDADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000732329840 1075705143 /nfs/dbraw/zinc/70/51/43/1075705143.db2.gz OTIPZBQLXRYLEK-MRXNPFEDSA-N -1 1 406.464 1.534 20 0 HDADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)NCCc1nnc(N)o1 ZINC000470968436 1075708724 /nfs/dbraw/zinc/70/87/24/1075708724.db2.gz QUUMFLJFWNYULH-UHFFFAOYSA-N -1 1 419.438 1.873 20 0 HDADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2CN2CCC[C@H](C(N)=O)C2)o1 ZINC000509252532 1075715956 /nfs/dbraw/zinc/71/59/56/1075715956.db2.gz BNLZNLRSWHGCET-AWEZNQCLSA-N -1 1 421.475 1.564 20 0 HDADMM CCc1cc2c(COC(=O)C3CCC4(CC3)NC(=O)NC4=O)cc(=O)oc2cc1[O-] ZINC000732348788 1075718481 /nfs/dbraw/zinc/71/84/81/1075718481.db2.gz HCZIYNRDIDIIPC-UHFFFAOYSA-N -1 1 414.414 1.873 20 0 HDADMM Cc1onc(N)c1S(=O)(=O)[N-]CC(=O)Nc1ccc(Br)c(C)c1 ZINC000568932963 1075726481 /nfs/dbraw/zinc/72/64/81/1075726481.db2.gz AXKMHKXHMUQDST-UHFFFAOYSA-N -1 1 403.258 1.553 20 0 HDADMM Cc1onc(N)c1S(=O)(=O)[N-]C[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000554892120 1075728083 /nfs/dbraw/zinc/72/80/83/1075728083.db2.gz LPRFLOCWZMAISH-AWEZNQCLSA-N -1 1 400.888 1.570 20 0 HDADMM Cc1onc(N)c1S(=O)(=O)[N-][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000567255162 1075732025 /nfs/dbraw/zinc/73/20/25/1075732025.db2.gz MPCOSLBZEJXTHQ-LBPRGKRZSA-N -1 1 416.406 1.641 20 0 HDADMM NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)NC3=NCCC3)c2)cc1 ZINC000016727019 1075793493 /nfs/dbraw/zinc/79/34/93/1075793493.db2.gz KUPCSRQTCIUFDW-UHFFFAOYSA-N -1 1 422.488 1.057 20 0 HDADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2cnc(-c3cnn(C)c3)s2)cc1 ZINC000732687785 1075821984 /nfs/dbraw/zinc/82/19/84/1075821984.db2.gz XZKYZSCXSSWQKX-UHFFFAOYSA-N -1 1 400.416 1.666 20 0 HDADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@]3(CO)CCOC3)cc2)cc1C ZINC000543602834 1075826683 /nfs/dbraw/zinc/82/66/83/1075826683.db2.gz QTHATWQEDHNXJK-FQEVSTJZSA-N -1 1 404.488 1.985 20 0 HDADMM COC(=O)Cc1c(C(=O)OC)sc2[n-]c(CN3CC[C@@H](C(F)F)C3)nc(=O)c12 ZINC000611180619 1075868643 /nfs/dbraw/zinc/86/86/43/1075868643.db2.gz ZZGOFLYAGUZJLH-MRVPVSSYSA-N -1 1 415.418 1.574 20 0 HDADMM Cc1ccccc1[C@@H](O)CNC(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC000732834356 1075882192 /nfs/dbraw/zinc/88/21/92/1075882192.db2.gz KAVJYPWKAVZKNC-SFHVURJKSA-N -1 1 400.479 1.418 20 0 HDADMM COC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cn1 ZINC000611277672 1075890533 /nfs/dbraw/zinc/89/05/33/1075890533.db2.gz BUJNPJATXLQNSD-UHFFFAOYSA-N -1 1 404.444 1.857 20 0 HDADMM CCOC(=O)[C@H](CO)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000611288557 1075894055 /nfs/dbraw/zinc/89/40/55/1075894055.db2.gz XEMSWJWJEPTBLY-KRWDZBQOSA-N -1 1 424.450 1.589 20 0 HDADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(N3C(=O)CCC3=O)c(C)c2)ccc1O ZINC000732951007 1075917946 /nfs/dbraw/zinc/91/79/46/1075917946.db2.gz ALXSCLAYUWIHAA-UHFFFAOYSA-N -1 1 418.427 1.941 20 0 HDADMM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1ccncc1I ZINC000611497824 1075949233 /nfs/dbraw/zinc/94/92/33/1075949233.db2.gz WOLYIDSFEPEAFW-UHFFFAOYSA-N -1 1 420.276 1.767 20 0 HDADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)OCc3nnnn3C)cc2)c1 ZINC000733393689 1076065261 /nfs/dbraw/zinc/06/52/61/1076065261.db2.gz NXHRASKQMXPYHH-UHFFFAOYSA-N -1 1 401.448 1.985 20 0 HDADMM C[C@H](O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OCCn3cncn3)cc2)cc1 ZINC000727181044 1076073592 /nfs/dbraw/zinc/07/35/92/1076073592.db2.gz XSNDPSOSIPIBII-AWEZNQCLSA-N -1 1 416.459 1.989 20 0 HDADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)C2=NN(c3ccccc3)[C@H](C(C)=O)C2)cc1 ZINC000733538654 1076089522 /nfs/dbraw/zinc/08/95/22/1076089522.db2.gz HENUVLSXZDTDET-IBGZPJMESA-N -1 1 423.425 1.719 20 0 HDADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)[C@@H](NC(=O)c2ccccn2)C(C)C)cc1 ZINC000727555013 1076167626 /nfs/dbraw/zinc/16/76/26/1076167626.db2.gz VQALMVQOHVWAQT-SFHVURJKSA-N -1 1 413.430 1.344 20 0 HDADMM C[C@@H](CN(C)C(=O)OC(C)(C)C)c1noc(C[N-]S(=O)(=O)c2cnn(C)c2)n1 ZINC000733742412 1076196006 /nfs/dbraw/zinc/19/60/06/1076196006.db2.gz JTNDNTLNONMMAE-NSHDSACASA-N -1 1 414.488 1.252 20 0 HDADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)c(N3CCCCC3)c2)cc1C(N)=O ZINC000733876484 1076226748 /nfs/dbraw/zinc/22/67/48/1076226748.db2.gz VAIVSRMKEZBQLW-UHFFFAOYSA-N -1 1 416.503 1.984 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1 ZINC000733883909 1076239451 /nfs/dbraw/zinc/23/94/51/1076239451.db2.gz ICZJXZZCDAHZQX-GFCCVEGCSA-N -1 1 407.434 1.006 20 0 HDADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H](O)c2ccccc2Br)o1 ZINC001299319208 1076248619 /nfs/dbraw/zinc/24/86/19/1076248619.db2.gz RJLFOIHYBCDSFD-LLVKDONJSA-N -1 1 403.254 1.414 20 0 HDADMM CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC000727853900 1076273167 /nfs/dbraw/zinc/27/31/67/1076273167.db2.gz SUVHDWGYSSBNHY-HZPDHXFCSA-N -1 1 420.510 1.565 20 0 HDADMM CC[S@](=O)CCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000733967819 1076278294 /nfs/dbraw/zinc/27/82/94/1076278294.db2.gz YWLSCPSMHDHOBR-SANMLTNESA-N -1 1 410.517 1.994 20 0 HDADMM O=C(NN1CC(=O)[N-]C1=O)c1cc(I)cc(C(F)(F)F)c1 ZINC000728066079 1076315911 /nfs/dbraw/zinc/31/59/11/1076315911.db2.gz YAXFAPLBRUXPQG-UHFFFAOYSA-N -1 1 413.093 1.507 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1 ZINC000728081889 1076334933 /nfs/dbraw/zinc/33/49/33/1076334933.db2.gz LYOBJYRLVSGTHO-UHFFFAOYSA-N -1 1 410.405 1.886 20 0 HDADMM O=C(CCn1c(=O)c2ccccc2[n-]c1=S)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000730087678 1076441447 /nfs/dbraw/zinc/44/14/47/1076441447.db2.gz XEBXJJWOXOBRLS-SJORKVTESA-N -1 1 402.520 1.133 20 0 HDADMM CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730534269 1076592133 /nfs/dbraw/zinc/59/21/33/1076592133.db2.gz ULGQCZUBXRLJOK-UHFFFAOYSA-N -1 1 422.411 1.680 20 0 HDADMM O=C(COC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)[N-]C(=O)c1ccccc1 ZINC000730619537 1076619707 /nfs/dbraw/zinc/61/97/07/1076619707.db2.gz KVDXVFNNJNIQCX-INIZCTEOSA-N -1 1 424.409 1.311 20 0 HDADMM CCN(CC)S(=O)(=O)c1ccc(N(C)C)c([N-]S(=O)(=O)C[C@H](C)OC)c1 ZINC000509088702 1073500921 /nfs/dbraw/zinc/50/09/21/1073500921.db2.gz FPLUNBMPLMPVQV-ZDUSSCGKSA-N -1 1 407.558 1.560 20 0 HDADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@@H](CC(C)C)NC(C)=O)c2)n1 ZINC001128518792 1073560129 /nfs/dbraw/zinc/56/01/29/1073560129.db2.gz BYTVCZONUQWGPV-MRXNPFEDSA-N -1 1 401.467 1.815 20 0 HDADMM Cc1cc(C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000673655312 1073583868 /nfs/dbraw/zinc/58/38/68/1073583868.db2.gz LZTNUSSUJVJHBT-HUUCEWRRSA-N -1 1 414.510 1.375 20 0 HDADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)N(C)C)ccc2C)cc1 ZINC000015756094 1073992730 /nfs/dbraw/zinc/99/27/30/1073992730.db2.gz CVGXVLSMBBJLSJ-UHFFFAOYSA-N -1 1 411.505 1.406 20 0 HDADMM O=C(NCc1nn[n-]n1)C(=O)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1 ZINC000674194072 1074207018 /nfs/dbraw/zinc/20/70/18/1074207018.db2.gz GUWBZOGBPNCKOC-UHFFFAOYSA-N -1 1 412.250 1.415 20 0 HDADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1C[C@H](O)C[C@H](O)C1 ZINC000674807286 1074572982 /nfs/dbraw/zinc/57/29/82/1074572982.db2.gz ZKZXESVUHNHOAS-IYBDPMFKSA-N -1 1 408.451 1.503 20 0 HDADMM C[C@H](CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])c1ccncc1 ZINC000674903348 1074608187 /nfs/dbraw/zinc/60/81/87/1074608187.db2.gz RDJGABSHSPCXLV-CQSZACIVSA-N -1 1 405.476 1.940 20 0 HDADMM O=C(CSc1nnc(Nc2cccc(Br)c2)s1)Nc1nnn[n-]1 ZINC000439269660 1074667907 /nfs/dbraw/zinc/66/79/07/1074667907.db2.gz GZZYYNMYYHPKAU-UHFFFAOYSA-N -1 1 413.286 2.288 20 0 HDADMM O=C(CSc1nnc(Nc2cccc(Br)c2)s1)Nc1nn[n-]n1 ZINC000439269660 1074667910 /nfs/dbraw/zinc/66/79/10/1074667910.db2.gz GZZYYNMYYHPKAU-UHFFFAOYSA-N -1 1 413.286 2.288 20 0 HDADMM COc1cc(NC(=O)C(=O)N2CCC[C@@H]2c2nc(C)no2)ccc1[N-]S(C)(=O)=O ZINC000509307304 1074713743 /nfs/dbraw/zinc/71/37/43/1074713743.db2.gz VJSSBEZGKOFKEX-CYBMUJFWSA-N -1 1 423.451 1.060 20 0 HDADMM C[C@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)C[C@H]1O ZINC000509339568 1075161476 /nfs/dbraw/zinc/16/14/76/1075161476.db2.gz BREYZNIFVOWCEX-SUMWQHHRSA-N -1 1 418.471 1.711 20 0 HDADMM O=C(NCC1(CO)CC1)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000675537036 1075194129 /nfs/dbraw/zinc/19/41/29/1075194129.db2.gz FJQIIFULVKTNCF-UHFFFAOYSA-N -1 1 418.471 1.761 20 0 HDADMM COC[C@H](C)n1ccc(NC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)n1 ZINC000574850348 1075250397 /nfs/dbraw/zinc/25/03/97/1075250397.db2.gz KMMCFOLQIVIHAC-JTQLQIEISA-N -1 1 421.306 2.314 20 0 HDADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2CS(C)(=O)=O)o1 ZINC001129172397 1075338957 /nfs/dbraw/zinc/33/89/57/1075338957.db2.gz WUZAVUISNWRXAH-LBPRGKRZSA-N -1 1 406.526 1.396 20 0 HDADMM NC(=O)COc1cccc([N-]S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)c1 ZINC000543659409 1075398926 /nfs/dbraw/zinc/39/89/26/1075398926.db2.gz WYWOZTCIWOOLMN-UHFFFAOYSA-N -1 1 415.471 1.577 20 0 HDADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3nc(C)n(C)n3)cc2)cc1 ZINC000573116297 1075441855 /nfs/dbraw/zinc/44/18/55/1075441855.db2.gz BRQQUOZVNYXVDB-UHFFFAOYSA-N -1 1 401.448 2.185 20 0 HDADMM CS(=O)(=O)CCN1CCC([N-]S(=O)(=O)c2cc(Cl)sc2Cl)CC1 ZINC000731676457 1075459321 /nfs/dbraw/zinc/45/93/21/1075459321.db2.gz HCNUQXXBCDWPMX-UHFFFAOYSA-N -1 1 421.393 1.842 20 0 HDADMM O=C1CN(c2ccc([N-]S(=O)(=O)c3cc4c(cc3Cl)OCCO4)cc2)CCN1 ZINC000731782498 1075522945 /nfs/dbraw/zinc/52/29/45/1075522945.db2.gz SUUSMKKOASLEOY-UHFFFAOYSA-N -1 1 423.878 1.848 20 0 HDADMM CCCC[C@@H](NC(=O)NCC)C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000676362567 1075524818 /nfs/dbraw/zinc/52/48/18/1075524818.db2.gz FNCJJDJDYSSFSG-CYBMUJFWSA-N -1 1 400.501 1.883 20 0 HDADMM O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000731852732 1075534764 /nfs/dbraw/zinc/53/47/64/1075534764.db2.gz FAPZXSRHUWXAHE-ZWKOTPCHSA-N -1 1 406.446 1.661 20 0 HDADMM O=C(NCCn1ncnn1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000676391089 1075535838 /nfs/dbraw/zinc/53/58/38/1075535838.db2.gz KYVGPZFCXLYJSS-UHFFFAOYSA-N -1 1 408.390 1.182 20 0 HDADMM O=C(c1cccc([N-]S(=O)(=O)c2cccs2)c1)N1CCO[C@H](c2nn[nH]n2)C1 ZINC000731854960 1075537877 /nfs/dbraw/zinc/53/78/77/1075537877.db2.gz MVTZAGUMIAJTSC-ZDUSSCGKSA-N -1 1 420.476 1.276 20 0 HDADMM O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000731880823 1075552033 /nfs/dbraw/zinc/55/20/33/1075552033.db2.gz YKIKDATXOUASOO-NSHDSACASA-N -1 1 407.843 1.595 20 0 HDADMM O=C(c1cccc(OCc2cn3ccccc3n2)c1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000731879925 1075552057 /nfs/dbraw/zinc/55/20/57/1075552057.db2.gz AKRRCEVDWHURMO-QGZVFWFLSA-N -1 1 405.418 1.640 20 0 HDADMM Cc1ccccc1C[C@@H](CO)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000466731764 1075561391 /nfs/dbraw/zinc/56/13/91/1075561391.db2.gz SNIXCHHCYLGTBX-HNNXBMFYSA-N -1 1 416.496 1.388 20 0 HDADMM Cn1ncnc1COc1ccc(S(=O)(=O)[N-]c2cnn(-c3ccncc3)c2)cc1 ZINC000676559377 1075589915 /nfs/dbraw/zinc/58/99/15/1075589915.db2.gz IPMHMQHQAFAABL-UHFFFAOYSA-N -1 1 411.447 1.776 20 0 HDADMM CCN1C(=S)N=NC1[C@@H]1CCCN(C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)C1 ZINC000732078740 1075617308 /nfs/dbraw/zinc/61/73/08/1075617308.db2.gz BNIIIFNXRRPSHF-CYBMUJFWSA-N -1 1 415.523 1.901 20 0 HDADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2cnc(COC)nc2N)c1 ZINC000474622727 1075620739 /nfs/dbraw/zinc/62/07/39/1075620739.db2.gz OINNRWSMFMDUCZ-UHFFFAOYSA-N -1 1 409.468 1.194 20 0 HDADMM O=C(c1cnn(-c2cccc(Br)c2)c1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732088896 1075621423 /nfs/dbraw/zinc/62/14/23/1075621423.db2.gz HMRLDOVGGHNFLQ-CYBMUJFWSA-N -1 1 404.228 1.362 20 0 HDADMM COc1ccc(-n2ccnc2SCC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)cc1 ZINC000732089194 1075623507 /nfs/dbraw/zinc/62/35/07/1075623507.db2.gz KOACVPUYWKGMQV-CQSZACIVSA-N -1 1 401.452 1.086 20 0 HDADMM CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732090018 1075623887 /nfs/dbraw/zinc/62/38/87/1075623887.db2.gz GBSGATSGACKHPP-RNKCIKGZSA-N -1 1 416.526 1.457 20 0 HDADMM CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732090828 1075624489 /nfs/dbraw/zinc/62/44/89/1075624489.db2.gz VPAKCJMFHRPLAF-ZIAGYGMSSA-N -1 1 424.914 1.305 20 0 HDADMM Cc1c(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)nnn1-c1ccc(-c2ccccc2)cc1 ZINC000732090747 1075624758 /nfs/dbraw/zinc/62/47/58/1075624758.db2.gz NKNKNDOVCPPVNL-SFHVURJKSA-N -1 1 416.445 1.970 20 0 HDADMM O=C(c1cn(Cc2ccccc2)nc1-c1cccnc1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732090636 1075624876 /nfs/dbraw/zinc/62/48/76/1075624876.db2.gz LELXLGKQEWRYLS-SFHVURJKSA-N -1 1 416.445 1.720 20 0 HDADMM CC(=O)Nc1cc(S(=O)(=O)N2C[C@@H](NC(C)=O)Cc3ccccc32)ccc1[O-] ZINC000676635274 1075626926 /nfs/dbraw/zinc/62/69/26/1075626926.db2.gz ACUCCAVJHWHBOH-HNNXBMFYSA-N -1 1 403.460 1.607 20 0 HDADMM O=C(CSc1nnc(-c2cccs2)n1C1CC1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732091227 1075627040 /nfs/dbraw/zinc/62/70/40/1075627040.db2.gz WFKWFJBIQNLPQL-LLVKDONJSA-N -1 1 418.508 1.547 20 0 HDADMM CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)NCc2nn[n-]n2)c(Cl)cc1Cl ZINC000732158297 1075641392 /nfs/dbraw/zinc/64/13/92/1075641392.db2.gz YCKKWCDWXRFGAK-QMMMGPOBSA-N -1 1 421.310 1.903 20 0 HDADMM CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)NCc2nn[n-]n2)c(Cl)cc1Cl ZINC000732158296 1075641488 /nfs/dbraw/zinc/64/14/88/1075641488.db2.gz YCKKWCDWXRFGAK-MRVPVSSYSA-N -1 1 421.310 1.903 20 0 HDADMM CCN(Cc1ccc2c(c1)OCCO2)C(=O)CN1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000676662127 1075643699 /nfs/dbraw/zinc/64/36/99/1075643699.db2.gz CTOCRQKVQORHDI-UHFFFAOYSA-N -1 1 401.467 1.510 20 0 HDADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C3N=NC(=S)N3C3CC3)C2)o1 ZINC000732174667 1075660400 /nfs/dbraw/zinc/66/04/00/1075660400.db2.gz AALMORQGDFLTDL-JTQLQIEISA-N -1 1 411.509 1.423 20 0 HDADMM Cn1cnnc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000429464274 1075678617 /nfs/dbraw/zinc/67/86/17/1075678617.db2.gz DSBIYBSYUUXQNG-UHFFFAOYSA-N -1 1 415.431 1.639 20 0 HDADMM O=C(c1cncc([O-])c1)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000732259047 1075688997 /nfs/dbraw/zinc/68/89/97/1075688997.db2.gz YLGDSFWADSYOHH-UHFFFAOYSA-N -1 1 415.393 1.953 20 0 HDADMM CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)CCn3cc[n-]c(=O)c3=O)cc2C1 ZINC000732300123 1075693398 /nfs/dbraw/zinc/69/33/98/1075693398.db2.gz ALANJNUSYUGHLZ-UHFFFAOYSA-N -1 1 414.462 1.859 20 0 HDADMM Cn1ccc(NCCNC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])n1 ZINC000576179362 1075695261 /nfs/dbraw/zinc/69/52/61/1075695261.db2.gz CNISDFMJBTYIFG-UHFFFAOYSA-N -1 1 415.400 2.498 20 0 HDADMM CCOC(=O)[C@H](Cc1ccccn1)NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000429260443 1075707902 /nfs/dbraw/zinc/70/79/02/1075707902.db2.gz WPAUAZPQNRXWCZ-AWEZNQCLSA-N -1 1 423.491 1.656 20 0 HDADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCc3nc(N)no3)cc2)cc1C ZINC000461543791 1075708745 /nfs/dbraw/zinc/70/87/45/1075708745.db2.gz FKKRANIAWBNCKZ-UHFFFAOYSA-N -1 1 415.475 2.042 20 0 HDADMM Cc1onc(N)c1S(=O)(=O)[N-]CCCNC(=O)c1ccc(Br)cc1 ZINC000519755584 1075727401 /nfs/dbraw/zinc/72/74/01/1075727401.db2.gz OJZMSRWMTVLUHO-UHFFFAOYSA-N -1 1 417.285 1.426 20 0 HDADMM Cc1onc(N)c1S(=O)(=O)[N-][C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000583408805 1075731909 /nfs/dbraw/zinc/73/19/09/1075731909.db2.gz NQERLOKPWYMUJJ-ZIAGYGMSSA-N -1 1 400.888 1.569 20 0 HDADMM Cc1onc(N)c1S(=O)(=O)[N-][C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000568567172 1075731956 /nfs/dbraw/zinc/73/19/56/1075731956.db2.gz JSFIEMJAJOQRIU-NSHDSACASA-N -1 1 418.397 1.663 20 0 HDADMM Cc1onc(N)c1S(=O)(=O)[N-][C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000582932980 1075732005 /nfs/dbraw/zinc/73/20/05/1075732005.db2.gz ZPQAEFSUMCYXBQ-ZDUSSCGKSA-N -1 1 400.407 1.313 20 0 HDADMM Cc1onc(N)c1S(=O)(=O)[N-][C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000517438610 1075732318 /nfs/dbraw/zinc/73/23/18/1075732318.db2.gz GMMDBKUZTLZRPZ-JTQLQIEISA-N -1 1 405.263 1.956 20 0 HDADMM Nc1ncncc1-c1noc(C[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000445461878 1075761852 /nfs/dbraw/zinc/76/18/52/1075761852.db2.gz ISLUIEHMSGFIMU-UHFFFAOYSA-N -1 1 400.342 1.606 20 0 HDADMM CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000804232510 1075782613 /nfs/dbraw/zinc/78/26/13/1075782613.db2.gz AOLXXUFUOIOVPL-AWEZNQCLSA-N -1 1 401.485 1.709 20 0 HDADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)C=C2CN(C(=O)OC(C)(C)C)C2)cc1 ZINC000766155842 1075800967 /nfs/dbraw/zinc/80/09/67/1075800967.db2.gz RRYKNTOOMCVGQQ-UHFFFAOYSA-N -1 1 404.419 1.672 20 0 HDADMM CCOC(=O)c1sc(C[N-]S(=O)(=O)c2c(CC)nn(C)c2CC)nc1C ZINC000611082628 1075831255 /nfs/dbraw/zinc/83/12/55/1075831255.db2.gz QWAFQCIWEUWWDI-UHFFFAOYSA-N -1 1 400.526 1.965 20 0 HDADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1cncc(I)c1 ZINC000611140632 1075859766 /nfs/dbraw/zinc/85/97/66/1075859766.db2.gz MLLCNPLFCZFSMM-LBPRGKRZSA-N -1 1 406.187 1.719 20 0 HDADMM Cc1ncc(/C=C/C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2[O-])s1 ZINC000732839490 1075883280 /nfs/dbraw/zinc/88/32/80/1075883280.db2.gz QCUZPCGCTJWDBQ-GORDUTHDSA-N -1 1 409.489 1.830 20 0 HDADMM COC(=O)C1(O)CCN(C(=O)c2cc(I)ccc2[O-])CC1 ZINC000611287940 1075893169 /nfs/dbraw/zinc/89/31/69/1075893169.db2.gz ODDLQVWEGLCIGU-UHFFFAOYSA-N -1 1 405.188 1.137 20 0 HDADMM CCOC(=O)[C@]1([N-]S(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)CCc2ccccc21 ZINC000611374427 1075916302 /nfs/dbraw/zinc/91/63/02/1075916302.db2.gz GLMCPPOTNYZUFW-FQEVSTJZSA-N -1 1 419.503 1.410 20 0 HDADMM COC(=O)Cc1c(C(=O)OC)sc2[n-]c(CN3CC[C@@H](C)[C@@H](F)C3)nc(=O)c12 ZINC000611501710 1075949854 /nfs/dbraw/zinc/94/98/54/1075949854.db2.gz HJVFBQFCIYWIOJ-KOLCDFICSA-N -1 1 411.455 1.667 20 0 HDADMM Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)CCn1cc[n-]c(=O)c1=O ZINC000733144709 1075975293 /nfs/dbraw/zinc/97/52/93/1075975293.db2.gz NBXGIMZWXCPDKQ-UHFFFAOYSA-N -1 1 402.476 1.063 20 0 HDADMM COC(=O)[C@@H](CNC(=O)CCn1cc[n-]c(=O)c1=O)Cc1cccc2ccccc21 ZINC000733176865 1076007684 /nfs/dbraw/zinc/00/76/84/1076007684.db2.gz GNGBJTMBVBHPKF-QGZVFWFLSA-N -1 1 409.442 1.228 20 0 HDADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccnc2N2CCC(O)CC2)o1 ZINC000733361296 1076052895 /nfs/dbraw/zinc/05/28/95/1076052895.db2.gz XWTRFWGZKBKXDX-UHFFFAOYSA-N -1 1 422.507 1.965 20 0 HDADMM COC(=O)C[C@H]([N-]S(=O)(=O)/C=C\c1cccc(Br)c1)C(=O)OC ZINC000727445306 1076124016 /nfs/dbraw/zinc/12/40/16/1076124016.db2.gz XXZVCDOAXVDCEU-DGMVEKRQSA-N -1 1 406.254 1.444 20 0 HDADMM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)[N-][C@@H](C(=O)OC)c2cc(F)ccc2F)C1 ZINC000727758213 1076231399 /nfs/dbraw/zinc/23/13/99/1076231399.db2.gz TUHLEZVCIDZKJQ-IAQYHMDHSA-N -1 1 420.434 1.288 20 0 HDADMM CCn1cc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)cc1C(=O)[O-] ZINC000533603589 1076244080 /nfs/dbraw/zinc/24/40/80/1076244080.db2.gz BTXMIDAFHKSJRF-UHFFFAOYSA-N -1 1 401.466 1.224 20 0 HDADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)CN1C(=O)C(=O)N(C)C1=O ZINC000727823201 1076267761 /nfs/dbraw/zinc/26/77/61/1076267761.db2.gz CTZCMASIDYBUGG-UHFFFAOYSA-N -1 1 416.459 1.297 20 0 HDADMM CC(C)(C)OC(=O)N1CCc2cc(NC(=O)CCn3cc[n-]c(=O)c3=O)ccc21 ZINC000727855962 1076273648 /nfs/dbraw/zinc/27/36/48/1076273648.db2.gz SZWPLERZHCGRPF-UHFFFAOYSA-N -1 1 400.435 1.863 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F ZINC000733984098 1076283710 /nfs/dbraw/zinc/28/37/10/1076283710.db2.gz ZHUOLAJPMIIDJU-GFCCVEGCSA-N -1 1 415.372 1.831 20 0 HDADMM Cn1c(C[C@@H]2CCS(=O)(=O)C2)nnc1SCc1cc(=O)oc2cc([O-])ccc12 ZINC000729993613 1076410063 /nfs/dbraw/zinc/41/00/63/1076410063.db2.gz DTJRDOWAAPPUPD-NSHDSACASA-N -1 1 421.500 1.897 20 0 HDADMM C[S@@](=O)CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000730103057 1076456706 /nfs/dbraw/zinc/45/67/06/1076456706.db2.gz VWFBDUPWTKRNIM-HHHXNRCGSA-N -1 1 424.500 1.367 20 0 HDADMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2c(F)cccc2-n2cccn2)cc1 ZINC000730204434 1076482976 /nfs/dbraw/zinc/48/29/76/1076482976.db2.gz VWMOIRVIWYYCBZ-UHFFFAOYSA-N -1 1 410.452 1.720 20 0 HDADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)[C@@H]2CSCN2C(=O)C2CCCC2)cc1 ZINC000730315176 1076530283 /nfs/dbraw/zinc/53/02/83/1076530283.db2.gz OJWMVPOGKLWGDA-INIZCTEOSA-N -1 1 420.487 1.587 20 0 HDADMM Cc1cccc(N2C(=O)N[C@H](CCC(=O)N[C@H](c3nn[n-]n3)c3ccccc3)C2=O)c1 ZINC000730833172 1076674219 /nfs/dbraw/zinc/67/42/19/1076674219.db2.gz UVLFOHFYPUUTFZ-AEFFLSMTSA-N -1 1 419.445 1.619 20 0 HDADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)o1 ZINC000731020081 1076712326 /nfs/dbraw/zinc/71/23/26/1076712326.db2.gz JPSYZZIOGUSJOZ-CYBMUJFWSA-N -1 1 415.512 1.955 20 0 HDADMM COC(=O)[C@](C)([N-]S(=O)(=O)C[C@H]1CCCO1)c1cccc(Br)c1 ZINC000731041129 1076717173 /nfs/dbraw/zinc/71/71/73/1076717173.db2.gz RWRHFRYVVNKSSN-UKRRQHHQSA-N -1 1 406.298 1.936 20 0 HDADMM Cc1sc(NC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)nc1-c1ccccc1 ZINC000673642108 1073481941 /nfs/dbraw/zinc/48/19/41/1073481941.db2.gz KWSYEOHEOKAMKM-UHFFFAOYSA-N -1 1 420.472 1.727 20 0 HDADMM O=C(c1cc(I)ccc1[O-])N1CCC2(CNC(=O)C2)CC1 ZINC000227767227 1073936860 /nfs/dbraw/zinc/93/68/60/1073936860.db2.gz KACCCPMGGWIQKP-UHFFFAOYSA-N -1 1 400.216 1.739 20 0 HDADMM CN1C(=O)N[C@]2(CCC[C@H]2C[N-]S(=O)(=O)c2sccc2Br)C1=O ZINC000674419356 1074320207 /nfs/dbraw/zinc/32/02/07/1074320207.db2.gz CDSQDSQMLTVNLH-SDBXPKJASA-N -1 1 422.326 1.509 20 0 HDADMM COc1cc(OC)cc(N2C[C@H](C(=O)N[C@@H](c3nn[n-]n3)c3ccccc3)CC2=O)c1 ZINC000674603579 1074474686 /nfs/dbraw/zinc/47/46/86/1074474686.db2.gz NGGQHENRGVNTOO-AUUYWEPGSA-N -1 1 422.445 1.476 20 0 HDADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@H](O)C[C@H](O)C3)cc2)ccc1F ZINC000674806070 1074572492 /nfs/dbraw/zinc/57/24/92/1074572492.db2.gz YNFXPVMABKZHFU-IYBDPMFKSA-N -1 1 408.451 1.503 20 0 HDADMM COCC1(C(=O)N2CCC([C@@H]3OCC[C@H]3[N-]C(=O)C(F)(F)F)CC2)CCOCC1 ZINC001128871626 1074612008 /nfs/dbraw/zinc/61/20/08/1074612008.db2.gz QCKVPEJDHHERHT-CABCVRRESA-N -1 1 422.444 1.504 20 0 HDADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N1CCN2CCOC[C@@H]2C1 ZINC000543612655 1074721747 /nfs/dbraw/zinc/72/17/47/1074721747.db2.gz GKLVYJQONHYZIR-SFHVURJKSA-N -1 1 419.478 1.783 20 0 HDADMM Cc1cc(NC(=O)c2cc(=O)n3[n-]cnc3n2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000546125913 1075231462 /nfs/dbraw/zinc/23/14/62/1075231462.db2.gz LYRWOOYGENVUSA-UHFFFAOYSA-N -1 1 404.217 2.471 20 0 HDADMM CSc1nc(C)c(CCC(=O)NC[C@@H]2CS(=O)(=O)c3ccccc32)c(=O)[n-]1 ZINC001129168903 1075330763 /nfs/dbraw/zinc/33/07/63/1075330763.db2.gz DKXBEOONGDWFFS-GFCCVEGCSA-N -1 1 407.517 1.832 20 0 HDADMM CN1c2ccc(S(=O)(=O)[N-]c3cccc(NC(=O)C(N)=O)c3)c3cccc(c23)C1=O ZINC000509379366 1075339629 /nfs/dbraw/zinc/33/96/29/1075339629.db2.gz PSKOQZOSQWMGAE-UHFFFAOYSA-N -1 1 424.438 1.654 20 0 HDADMM COC(=O)C1(NC(=O)COC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)CCCCC1 ZINC000731448424 1075345988 /nfs/dbraw/zinc/34/59/88/1075345988.db2.gz LEVKIZZKKHKNDT-UHFFFAOYSA-N -1 1 418.450 1.130 20 0 HDADMM COc1cccc(C([O-])=C2[C@@H](c3csnn3)NC(=S)N[C@@]2(O)C(F)(F)F)c1 ZINC000731427714 1075348215 /nfs/dbraw/zinc/34/82/15/1075348215.db2.gz QOACDXWPDVSLNZ-WDMOLILDSA-N -1 1 418.422 1.816 20 0 HDADMM CON(C)C(=O)c1ccc([N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)cc1 ZINC000731434643 1075350296 /nfs/dbraw/zinc/35/02/96/1075350296.db2.gz QQPVESDLVPVCOX-UHFFFAOYSA-N -1 1 412.489 1.833 20 0 HDADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)c2ccn(C)n2)c(OC)c1 ZINC000509385602 1075396836 /nfs/dbraw/zinc/39/68/36/1075396836.db2.gz OWTJRSZZSZIJHO-UHFFFAOYSA-N -1 1 402.498 1.406 20 0 HDADMM O=C1NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(N4C(=O)CCCC4=O)cc3)ccc21 ZINC000731596436 1075404787 /nfs/dbraw/zinc/40/47/87/1075404787.db2.gz JCVCPLHVYZPOIV-UHFFFAOYSA-N -1 1 413.411 1.415 20 0 HDADMM COc1ccc(NC(=O)COc2ccc(C=O)cc2OC)cc1[N-]S(C)(=O)=O ZINC000731602323 1075407431 /nfs/dbraw/zinc/40/74/31/1075407431.db2.gz BYLAPTYHSWOBDB-UHFFFAOYSA-N -1 1 408.432 1.905 20 0 HDADMM NC(=O)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)c1 ZINC000509385957 1075412605 /nfs/dbraw/zinc/41/26/05/1075412605.db2.gz KOHRUTFFSIZMKT-UHFFFAOYSA-N -1 1 417.365 1.852 20 0 HDADMM COc1ccc(NC(=O)Nc2cc([C@@H]3CCCOC3)[nH]n2)cc1[N-]S(C)(=O)=O ZINC000467933485 1075440213 /nfs/dbraw/zinc/44/02/13/1075440213.db2.gz MGQZNZYCACEXLS-LLVKDONJSA-N -1 1 409.468 2.328 20 0 HDADMM CN(C)C(=O)c1cccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)c1 ZINC000026232284 1075442641 /nfs/dbraw/zinc/44/26/41/1075442641.db2.gz TUSFCOBPIRYDKN-UHFFFAOYSA-N -1 1 423.516 1.630 20 0 HDADMM Cc1ccc(C[C@@H](CO)NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)cc1 ZINC000466722564 1075466679 /nfs/dbraw/zinc/46/66/79/1075466679.db2.gz KYPPBIXYQQXBMR-HNNXBMFYSA-N -1 1 416.496 1.388 20 0 HDADMM CS(=O)(=O)[N-]c1ccsc1C(=O)OCC(=O)NCC(=O)c1cccs1 ZINC000731711404 1075484563 /nfs/dbraw/zinc/48/45/63/1075484563.db2.gz AVYJIYHWZLBYIX-UHFFFAOYSA-N -1 1 402.475 1.337 20 0 HDADMM COc1ncnc(OC)c1C(=O)[N-]c1n[nH]c(-c2ccccc2Br)n1 ZINC000599480066 1075530195 /nfs/dbraw/zinc/53/01/95/1075530195.db2.gz QCUYZRXIJWYLOZ-UHFFFAOYSA-N -1 1 405.212 2.294 20 0 HDADMM CCOC(=O)c1cnn(-c2ccc(C(=O)N3CCO[C@H](c4nn[n-]n4)C3)cc2)c1C ZINC000731854827 1075536628 /nfs/dbraw/zinc/53/66/28/1075536628.db2.gz GWZKBAXEFOBPIH-INIZCTEOSA-N -1 1 411.422 1.084 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)NCC1(c2ccc(Br)s2)CCC1 ZINC000804141978 1075536717 /nfs/dbraw/zinc/53/67/17/1075536717.db2.gz DZBXYYGLTCHHGN-UHFFFAOYSA-N -1 1 412.309 1.989 20 0 HDADMM Cc1c(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000731855482 1075537129 /nfs/dbraw/zinc/53/71/29/1075537129.db2.gz OZANDPDBQFLIDQ-CQSZACIVSA-N -1 1 407.356 1.926 20 0 HDADMM O=C(c1cccc(CS(=O)(=O)c2ccccc2)c1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000731855294 1075537175 /nfs/dbraw/zinc/53/71/75/1075537175.db2.gz GSOQUZDIZSRBJD-KRWDZBQOSA-N -1 1 413.459 1.387 20 0 HDADMM Cc1c(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)cnn1-c1ccc(Br)cc1 ZINC000731855008 1075537338 /nfs/dbraw/zinc/53/73/38/1075537338.db2.gz AHBYFXNAZBZQEB-AWEZNQCLSA-N -1 1 418.255 1.670 20 0 HDADMM C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000731855025 1075537525 /nfs/dbraw/zinc/53/75/25/1075537525.db2.gz BBEZHCYPBAFGMW-QPUJVOFHSA-N -1 1 400.208 1.469 20 0 HDADMM O=C(c1ccc(-n2cc(Br)cn2)cc1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000731855231 1075537621 /nfs/dbraw/zinc/53/76/21/1075537621.db2.gz WJLOOWBHHNOCLS-CYBMUJFWSA-N -1 1 404.228 1.362 20 0 HDADMM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2cccc([C@H]3CNC(=O)C3)c2)cc1 ZINC000676410364 1075540558 /nfs/dbraw/zinc/54/05/58/1075540558.db2.gz BVULVFHTHGBKCX-QGZVFWFLSA-N -1 1 401.488 1.770 20 0 HDADMM CS(=O)(=O)[N-]c1nnc(NC(=O)c2cc(COc3ccccc3F)on2)s1 ZINC000466813539 1075541793 /nfs/dbraw/zinc/54/17/93/1075541793.db2.gz OUUYSTIVOAERKS-UHFFFAOYSA-N -1 1 413.412 1.868 20 0 HDADMM Cc1c(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000731880709 1075550773 /nfs/dbraw/zinc/55/07/73/1075550773.db2.gz WFUGSSGOAHQECX-NSHDSACASA-N -1 1 415.479 1.220 20 0 HDADMM O=C(c1cnn(-c2ccc(F)cc2)c1-n1cccc1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000731880111 1075551338 /nfs/dbraw/zinc/55/13/38/1075551338.db2.gz FSGHUZQHPCPMLJ-MRXNPFEDSA-N -1 1 408.397 1.529 20 0 HDADMM CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000731880173 1075551571 /nfs/dbraw/zinc/55/15/71/1075551571.db2.gz IDYAVXSJFJPNRK-KRWDZBQOSA-N -1 1 404.434 1.845 20 0 HDADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC2(CNC(=O)OC(C)(C)C)CCCC2)o1 ZINC000731888014 1075556606 /nfs/dbraw/zinc/55/66/06/1075556606.db2.gz XEOJXBBPHFFVPH-UHFFFAOYSA-N -1 1 401.485 1.755 20 0 HDADMM CC(C)[C@@H](C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)N1CCCS1(=O)=O ZINC000676476374 1075564577 /nfs/dbraw/zinc/56/45/77/1075564577.db2.gz RZZIWCCYBMXLRV-SFHVURJKSA-N -1 1 408.520 1.874 20 0 HDADMM C[C@@H](CCO)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000676536290 1075578620 /nfs/dbraw/zinc/57/86/20/1075578620.db2.gz VRJIWQYMUYWIOJ-NSHDSACASA-N -1 1 404.448 1.570 20 0 HDADMM CNC(=O)c1cncc(/C=C/C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)c1 ZINC000732056935 1075596738 /nfs/dbraw/zinc/59/67/38/1075596738.db2.gz YDIVKCYUENMWKF-QPJJXVBHSA-N -1 1 404.448 1.473 20 0 HDADMM COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732092015 1075608874 /nfs/dbraw/zinc/60/88/74/1075608874.db2.gz VDLWZEBAFBHRLQ-HIFRSBDPSA-N -1 1 420.857 1.066 20 0 HDADMM C=CC(=O)NCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000732100490 1075612804 /nfs/dbraw/zinc/61/28/04/1075612804.db2.gz SWAXNJPNFTYAQX-UHFFFAOYSA-N -1 1 405.451 1.967 20 0 HDADMM CCN1C(=S)N=NC1[C@H]1CCCN(C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)C1 ZINC000732078741 1075617298 /nfs/dbraw/zinc/61/72/98/1075617298.db2.gz BNIIIFNXRRPSHF-ZDUSSCGKSA-N -1 1 415.523 1.901 20 0 HDADMM O=C(N1CCO[C@@H](c2nn[n-]n2)C1)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000732088715 1075621722 /nfs/dbraw/zinc/62/17/22/1075621722.db2.gz GFNUYONTULVPTD-BDJLRTHQSA-N -1 1 406.855 1.382 20 0 HDADMM COc1ccc(NC(=O)C2([N-]S(=O)(=O)c3c(N)noc3C)CCCC2)cc1OC ZINC000554902077 1075622765 /nfs/dbraw/zinc/62/27/65/1075622765.db2.gz UZNTWOXTLHTODK-UHFFFAOYSA-N -1 1 424.479 1.812 20 0 HDADMM O=C(c1[nH]nc(-c2ccccc2)c1Br)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732089479 1075622981 /nfs/dbraw/zinc/62/29/81/1075622981.db2.gz NPBLLONUUSZUGP-JTQLQIEISA-N -1 1 404.228 1.566 20 0 HDADMM CC(C)(C)OC(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732089553 1075623130 /nfs/dbraw/zinc/62/31/30/1075623130.db2.gz JWTIHIRBPHTODA-KBXIAJHMSA-N -1 1 406.487 1.668 20 0 HDADMM O=C(c1cccc(N2C(=O)c3ccccc3C2=O)c1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732089158 1075623906 /nfs/dbraw/zinc/62/39/06/1075623906.db2.gz JTOIGVKXHGLITB-MRXNPFEDSA-N -1 1 404.386 1.214 20 0 HDADMM CCCCCCn1nc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)c2ccccc2c1=O ZINC000732090049 1075624333 /nfs/dbraw/zinc/62/43/33/1075624333.db2.gz GVSDAQFKVCLWPM-MRXNPFEDSA-N -1 1 411.466 1.704 20 0 HDADMM Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732090859 1075624372 /nfs/dbraw/zinc/62/43/72/1075624372.db2.gz OPHLZCJQJQTFLN-IBGZPJMESA-N -1 1 409.494 1.902 20 0 HDADMM O=C(c1nn(Cc2ccccc2)c(=O)c2ccccc21)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732091075 1075625680 /nfs/dbraw/zinc/62/56/80/1075625680.db2.gz RALXZWIWMOFLLV-KRWDZBQOSA-N -1 1 417.429 1.172 20 0 HDADMM Cc1ccc(C(=O)N[C@@H](CC(=O)N2CCO[C@H](c3nn[n-]n3)C2)c2ccccc2)cc1 ZINC000732091673 1075625725 /nfs/dbraw/zinc/62/57/25/1075625725.db2.gz MQJKQYITOOYVFM-OALUTQOASA-N -1 1 420.473 1.969 20 0 HDADMM O=C(c1nnn(-c2ccccc2F)c1C(F)(F)F)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732091707 1075626173 /nfs/dbraw/zinc/62/61/73/1075626173.db2.gz NXXJQAKPVSQIOL-JTQLQIEISA-N -1 1 412.307 1.152 20 0 HDADMM O=C(c1ccn(-c2cccc(Br)c2)n1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732091800 1075626194 /nfs/dbraw/zinc/62/61/94/1075626194.db2.gz QWFZVCULEBQTIU-CYBMUJFWSA-N -1 1 404.228 1.362 20 0 HDADMM O=C(CC1(CC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)CCCCC1)Nc1nccs1 ZINC000732091766 1075626219 /nfs/dbraw/zinc/62/62/19/1075626219.db2.gz PWRHGSTZRUOXEH-CYBMUJFWSA-N -1 1 419.511 1.926 20 0 HDADMM COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)cc1OC ZINC000732091514 1075627062 /nfs/dbraw/zinc/62/70/62/1075627062.db2.gz HCTLWELSFJIUBM-GLKRBJQHSA-N -1 1 416.438 1.025 20 0 HDADMM O=C(CCNC(=O)Nc1ccc(Br)cc1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732091456 1075627087 /nfs/dbraw/zinc/62/70/87/1075627087.db2.gz FDQGMKCOMKAEHH-GFCCVEGCSA-N -1 1 424.259 1.074 20 0 HDADMM C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(F)c(C(=O)NCc2nn[n-]n2)c1 ZINC000732158292 1075641435 /nfs/dbraw/zinc/64/14/35/1075641435.db2.gz XUMORGQSHSRCBP-LLVKDONJSA-N -1 1 416.438 1.409 20 0 HDADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000732306800 1075694718 /nfs/dbraw/zinc/69/47/18/1075694718.db2.gz WGEYXGFEQCPSKM-UHFFFAOYSA-N -1 1 409.851 1.418 20 0 HDADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCc3nc(N)no3)c2)cc1F ZINC000461549848 1075708810 /nfs/dbraw/zinc/70/88/10/1075708810.db2.gz XZMJPVZHTZLPDI-UHFFFAOYSA-N -1 1 419.438 1.873 20 0 HDADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2CN2CCC[C@@H](C(N)=O)C2)o1 ZINC000509252533 1075715983 /nfs/dbraw/zinc/71/59/83/1075715983.db2.gz BNLZNLRSWHGCET-CQSZACIVSA-N -1 1 421.475 1.564 20 0 HDADMM Cc1onc(N)c1S(=O)(=O)[N-]CCc1cn2cc(Br)cc(C)c2n1 ZINC000520460991 1075728012 /nfs/dbraw/zinc/72/80/12/1075728012.db2.gz VRZMRSMHQIUACZ-UHFFFAOYSA-N -1 1 414.285 1.805 20 0 HDADMM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N=c2nc[nH]n2C(C)(C)C)c(OC)c1 ZINC000509257704 1075735555 /nfs/dbraw/zinc/73/55/55/1075735555.db2.gz YOAYRBLIHBDCIJ-UHFFFAOYSA-N -1 1 417.513 1.026 20 0 HDADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NCCc3nnc(N)o3)cc2)ccc1F ZINC000470962972 1075743941 /nfs/dbraw/zinc/74/39/41/1075743941.db2.gz HFGJIQOBTRYFKR-UHFFFAOYSA-N -1 1 419.438 1.873 20 0 HDADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)NCc2nnc(N)o2)c1 ZINC000506393688 1075752931 /nfs/dbraw/zinc/75/29/31/1075752931.db2.gz FSMFQAYTZYGZIW-UHFFFAOYSA-N -1 1 405.411 1.830 20 0 HDADMM Cc1ccc(C(=O)NCc2ncn(C)n2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000509262105 1075756053 /nfs/dbraw/zinc/75/60/53/1075756053.db2.gz GIWIDBRKQCCUEJ-UHFFFAOYSA-N -1 1 403.439 1.993 20 0 HDADMM CN(CC(=O)Nc1ccon1)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000590063195 1075757410 /nfs/dbraw/zinc/75/74/10/1075757410.db2.gz GMADDQPXAWMTTA-UHFFFAOYSA-N -1 1 400.460 2.546 20 0 HDADMM CS(=O)(=O)c1ccc(OCCCC(=O)N2CCC(c3n[n-]c(=O)o3)CC2)cc1 ZINC000509264734 1075760571 /nfs/dbraw/zinc/76/05/71/1075760571.db2.gz QZYHKDXTGCTPBU-UHFFFAOYSA-N -1 1 409.464 1.744 20 0 HDADMM COc1ccc(NC(=O)COCCNC(=O)OC(C)(C)C)cc1[N-]S(C)(=O)=O ZINC000732550176 1075783429 /nfs/dbraw/zinc/78/34/29/1075783429.db2.gz GIWFUKBQOBPEGR-UHFFFAOYSA-N -1 1 417.484 1.547 20 0 HDADMM O=C(Cc1ccccc1)NCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000017360699 1075822879 /nfs/dbraw/zinc/82/28/79/1075822879.db2.gz JRVAAAWKJLWZOI-UHFFFAOYSA-N -1 1 417.487 1.474 20 0 HDADMM O=S(=O)([N-]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cc(F)ccc1F ZINC000732668787 1075826361 /nfs/dbraw/zinc/82/63/61/1075826361.db2.gz OAISPZBHLTZRBF-UHFFFAOYSA-N -1 1 422.397 1.805 20 0 HDADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N3CC(n4cncn4)C3)c([O-])c2)c1 ZINC000732831048 1075881053 /nfs/dbraw/zinc/88/10/53/1075881053.db2.gz ZRCHJZAKRVLIMC-UHFFFAOYSA-N -1 1 423.429 1.950 20 0 HDADMM COC(=O)c1c(OC)ccc(S(=O)(=O)[N-]c2cnn(-c3ccncc3)c2)c1OC ZINC000611305038 1075895794 /nfs/dbraw/zinc/89/57/94/1075895794.db2.gz WGZHWWGUROUCNL-UHFFFAOYSA-N -1 1 418.431 1.872 20 0 HDADMM O=S(=O)([N-]CC1CCN(S(=O)(=O)C(F)F)CC1)c1cccc(F)c1F ZINC000732985391 1075938530 /nfs/dbraw/zinc/93/85/30/1075938530.db2.gz IKWYTFCUZGEPEY-UHFFFAOYSA-N -1 1 404.407 1.508 20 0 HDADMM O=C(OCCCN1C(=O)CNC1=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000733385926 1076064613 /nfs/dbraw/zinc/06/46/13/1076064613.db2.gz KIEAELXLGSKYMI-UHFFFAOYSA-N -1 1 417.443 1.586 20 0 HDADMM COC(=O)CCCc1nc(COC(=O)c2sccc2[N-]S(C)(=O)=O)no1 ZINC000733453271 1076079876 /nfs/dbraw/zinc/07/98/76/1076079876.db2.gz VZJVVYIBIHSADS-UHFFFAOYSA-N -1 1 403.438 1.355 20 0 HDADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)cc1 ZINC000733539666 1076090062 /nfs/dbraw/zinc/09/00/62/1076090062.db2.gz QJMBEXIRTBNMPE-UHFFFAOYSA-N -1 1 422.397 1.093 20 0 HDADMM CS(=O)(=O)c1ccc(C(=O)OCC(=O)[N-]C(=O)c2ccc(OC(F)F)cc2)o1 ZINC000733588336 1076117334 /nfs/dbraw/zinc/11/73/34/1076117334.db2.gz PTXIILAJZBRURF-UHFFFAOYSA-N -1 1 417.342 1.398 20 0 HDADMM O=c1ccccn1Cc1noc(C[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000733733831 1076177761 /nfs/dbraw/zinc/17/77/61/1076177761.db2.gz UACUBNPHKYIMFH-UHFFFAOYSA-N -1 1 414.365 1.777 20 0 HDADMM CCn1cc(S(=O)(=O)Nc2cccc([C@@]3(C)NC(=O)NC3=O)c2)cc1C(=O)[O-] ZINC000532824289 1076239581 /nfs/dbraw/zinc/23/95/81/1076239581.db2.gz WNYXSSDTXAGVSD-QGZVFWFLSA-N -1 1 406.420 1.062 20 0 HDADMM COC(=O)c1cn(CN(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)nn1 ZINC000727824891 1076262223 /nfs/dbraw/zinc/26/22/23/1076262223.db2.gz HJRZBVDVFVMHRE-UHFFFAOYSA-N -1 1 415.475 1.955 20 0 HDADMM CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)CCn2cc[n-]c(=O)c2=O)cc1 ZINC000727850636 1076271121 /nfs/dbraw/zinc/27/11/21/1076271121.db2.gz XTILALNHBJCRSH-CQSZACIVSA-N -1 1 401.467 1.678 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 ZINC000727851147 1076271406 /nfs/dbraw/zinc/27/14/06/1076271406.db2.gz HCUDKDGMDQERQB-UHFFFAOYSA-N -1 1 410.405 1.635 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000727851654 1076271468 /nfs/dbraw/zinc/27/14/68/1076271468.db2.gz MXTUVTHKMQZNNR-ZDUSSCGKSA-N -1 1 421.295 1.332 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000727853012 1076272410 /nfs/dbraw/zinc/27/24/10/1076272410.db2.gz DQHPTBBNOXQSOO-AWEZNQCLSA-N -1 1 408.252 1.289 20 0 HDADMM O=C(COC(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F)[N-]C(=O)c1ccccc1 ZINC000727927393 1076285206 /nfs/dbraw/zinc/28/52/06/1076285206.db2.gz ATDCXLDQOWJIFT-LBPRGKRZSA-N -1 1 402.325 1.650 20 0 HDADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(CNC(N)=O)cc2)c1 ZINC000028834878 1076361957 /nfs/dbraw/zinc/36/19/57/1076361957.db2.gz YDVRPKDXKNJCLL-UHFFFAOYSA-N -1 1 420.491 1.843 20 0 HDADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCC[S@@](C)=O)c2)cc1 ZINC000730103745 1076456408 /nfs/dbraw/zinc/45/64/08/1076456408.db2.gz JTADCMFAZHJAFC-AREMUKBSSA-N -1 1 410.517 1.994 20 0 HDADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)[C@H]2CSCN2C(=O)CC(C)(C)C)cc1 ZINC000730324761 1076540411 /nfs/dbraw/zinc/54/04/11/1076540411.db2.gz BEAPZSMYPKYWGF-OAHLLOKOSA-N -1 1 422.503 1.833 20 0 HDADMM COC(=O)c1ccc(S(=O)(=O)[N-]CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)o1 ZINC000730814501 1076668254 /nfs/dbraw/zinc/66/82/54/1076668254.db2.gz SKTJXBNRELYVSC-LBPRGKRZSA-N -1 1 402.469 1.992 20 0 HDADMM COC(=O)CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC2=NCCCCC2)cc1 ZINC000731052685 1076719111 /nfs/dbraw/zinc/71/91/11/1076719111.db2.gz GWTRSGIVOJVRSG-UHFFFAOYSA-N -1 1 417.509 1.242 20 0 HDADMM CC(=O)[N-]S(=O)(=O)c1ccc(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)nc1 ZINC001164860257 721011666 /nfs/dbraw/zinc/01/16/66/721011666.db2.gz KNQHFTZBQPEWGK-AWEZNQCLSA-N -1 1 420.539 1.524 20 0 HDADMM O=C([O-])C1(NC(=O)NCCCCN2CCN(c3ncccn3)CC2)CCCCC1 ZINC000780550613 939132532 /nfs/dbraw/zinc/13/25/32/939132532.db2.gz ARDJECDXDUJBAI-UHFFFAOYSA-N -1 1 404.515 1.466 20 0 HDADMM C[C@@](NC(=O)N[C@@H]1CCCc2cn[nH]c21)(C(=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000797725993 939188685 /nfs/dbraw/zinc/18/86/85/939188685.db2.gz XPOOXZUKSNVZIA-KDOFPFPSSA-N -1 1 406.464 1.490 20 0 HDADMM COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1 ZINC000540674805 939290853 /nfs/dbraw/zinc/29/08/53/939290853.db2.gz JPFLOYJFSDCQQO-IBGZPJMESA-N -1 1 420.443 1.470 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCC1(NS(C)(=O)=O)CCCCC1 ZINC000625110392 1073501513 /nfs/dbraw/zinc/50/15/13/1073501513.db2.gz HLILGNORCLQBKS-UHFFFAOYSA-N -1 1 423.539 1.353 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCN(C(=O)c2cccn2C)CC1 ZINC000625143684 1073516140 /nfs/dbraw/zinc/51/61/40/1073516140.db2.gz BQMFHFSYTXOMNQ-UHFFFAOYSA-N -1 1 410.478 1.307 20 0 HDADMM 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O=C(COCC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)NCc1cccnc1 ZINC000676187719 1075417560 /nfs/dbraw/zinc/41/75/60/1075417560.db2.gz TYLFLLAWEOIKTA-UHFFFAOYSA-N -1 1 411.458 1.542 20 0 HDADMM CCN1C(=S)N=NC1C1CCN(C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)CC1 ZINC000731642348 1075443361 /nfs/dbraw/zinc/44/33/61/1075443361.db2.gz LRMULOZMFPHZDG-UHFFFAOYSA-N -1 1 415.523 1.901 20 0 HDADMM O=C([O-])C1(NCC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)CCCC1 ZINC000676230428 1075449456 /nfs/dbraw/zinc/44/94/56/1075449456.db2.gz GIVAYANFFMBLBO-ZDUSSCGKSA-N -1 1 400.522 1.251 20 0 HDADMM C[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N1CCC[C@H](CC(=O)[O-])C1 ZINC000676233768 1075450031 /nfs/dbraw/zinc/45/00/31/1075450031.db2.gz SXOAEWITVSGZFN-WDEREUQCSA-N -1 1 401.385 1.734 20 0 HDADMM COc1cccc(Cc2nnc([N-]C(=O)c3ccnc(S(C)(=O)=O)n3)s2)c1 ZINC000557598160 1075479490 /nfs/dbraw/zinc/47/94/90/1075479490.db2.gz QWUQCSBUXMQYAH-UHFFFAOYSA-N -1 1 405.461 1.583 20 0 HDADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)NCCC3(O)CCOCC3)c2)n1 ZINC000509405120 1075509790 /nfs/dbraw/zinc/50/97/90/1075509790.db2.gz HFTCCRKRIPUYAW-UHFFFAOYSA-N -1 1 417.466 1.379 20 0 HDADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CN(C2CC2)CCO1 ZINC000509404739 1075511707 /nfs/dbraw/zinc/51/17/07/1075511707.db2.gz SCSZDUCIWMLSPC-GFCCVEGCSA-N -1 1 423.318 1.922 20 0 HDADMM NC(=O)C1([N-]S(=O)(=O)c2cc(Br)sc2Cl)CCOCC1 ZINC000676354169 1075529567 /nfs/dbraw/zinc/52/95/67/1075529567.db2.gz YMDCYTAMCCZSHG-UHFFFAOYSA-N -1 1 403.707 1.477 20 0 HDADMM COc1ccc(-c2nc(C)c(C(=O)N3CCO[C@H](c4nn[n-]n4)C3)s2)cc1OC ZINC000731854725 1075536332 /nfs/dbraw/zinc/53/63/32/1075536332.db2.gz BNUBCQBIAIQYNM-AWEZNQCLSA-N -1 1 416.463 1.863 20 0 HDADMM O=C(c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000731854815 1075536615 /nfs/dbraw/zinc/53/66/15/1075536615.db2.gz GMLUPJSRBIMOLH-KRWDZBQOSA-N -1 1 418.413 1.210 20 0 HDADMM Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000731855630 1075536759 /nfs/dbraw/zinc/53/67/59/1075536759.db2.gz 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CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)OCc3nnnn3C)cc2)cc1 ZINC000733395113 1076065727 /nfs/dbraw/zinc/06/57/27/1076065727.db2.gz UWVUQJUILWNPGG-UHFFFAOYSA-N -1 1 417.447 1.767 20 0 HDADMM CC(C)NC(=O)CNC(=S)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000727282410 1076092580 /nfs/dbraw/zinc/09/25/80/1076092580.db2.gz MJMXWHJWACKCSX-UHFFFAOYSA-N -1 1 420.560 1.976 20 0 HDADMM COC(=O)N[C@H](C(=O)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1)C(C)C ZINC000733555154 1076097373 /nfs/dbraw/zinc/09/73/73/1076097373.db2.gz HRIWOWBZYMMFBI-ZDUSSCGKSA-N -1 1 402.350 1.468 20 0 HDADMM COC(=O)C[C@@H]([N-]S(=O)(=O)/C=C/c1ccc(Br)cc1)C(=O)OC ZINC000727442557 1076122865 /nfs/dbraw/zinc/12/28/65/1076122865.db2.gz FISVYEBUNAMKMC-ABZNLYFFSA-N -1 1 406.254 1.444 20 0 HDADMM COC(=O)C[C@H]([N-]S(=O)(=O)/C=C/c1cccc(Br)c1)C(=O)OC ZINC000727445308 1076124081 /nfs/dbraw/zinc/12/40/81/1076124081.db2.gz XXZVCDOAXVDCEU-SYTKJHMZSA-N -1 1 406.254 1.444 20 0 HDADMM COCCn1c(=O)cc([O-])nc1SCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000727480017 1076130822 /nfs/dbraw/zinc/13/08/22/1076130822.db2.gz RSMKMJBHVQMCMA-UHFFFAOYSA-N -1 1 422.482 1.175 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000733781363 1076204721 /nfs/dbraw/zinc/20/47/21/1076204721.db2.gz AZLMMLCHXMWSEX-UHFFFAOYSA-N -1 1 422.844 1.597 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1 ZINC000733883910 1076239479 /nfs/dbraw/zinc/23/94/79/1076239479.db2.gz ICZJXZZCDAHZQX-LBPRGKRZSA-N -1 1 407.434 1.006 20 0 HDADMM CCn1cc(S(=O)(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cc1C(=O)[O-] ZINC000532825488 1076239632 /nfs/dbraw/zinc/23/96/32/1076239632.db2.gz XXMIAFQCHOSECA-UHFFFAOYSA-N -1 1 402.436 1.995 20 0 HDADMM Cc1cc(S(C)(=O)=O)ccc1[N-]S(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000733948680 1076272236 /nfs/dbraw/zinc/27/22/36/1076272236.db2.gz GWEQYOUWXBJNMD-UHFFFAOYSA-N -1 1 421.493 1.742 20 0 HDADMM CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)CCn1cc[n-]c(=O)c1=O ZINC000727853789 1076273048 /nfs/dbraw/zinc/27/30/48/1076273048.db2.gz MXKLMIPOCZAZNA-UHFFFAOYSA-N -1 1 400.410 1.812 20 0 HDADMM O=C([O-])[C@@H](NC(=O)NCCCCN1CCN(c2ncccn2)CC1)C1CCCCC1 ZINC000780551983 939132448 /nfs/dbraw/zinc/13/24/48/939132448.db2.gz JISPXCSSSWORAI-SFHVURJKSA-N -1 1 418.542 1.712 20 0 HDADMM C[C@](NC(=O)N[C@@H]1CCCc2cn[nH]c21)(C(=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000797725995 939188657 /nfs/dbraw/zinc/18/86/57/939188657.db2.gz XPOOXZUKSNVZIA-RDTXWAMCSA-N -1 1 406.464 1.490 20 0 HDADMM CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)NC3)c1 ZINC000509073366 1073464478 /nfs/dbraw/zinc/46/44/78/1073464478.db2.gz ANKIUVODBJTNKB-UHFFFAOYSA-N -1 1 423.516 1.761 20 0 HDADMM CN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000021632079 1073484124 /nfs/dbraw/zinc/48/41/24/1073484124.db2.gz PZMGUNFEJISTGO-UHFFFAOYSA-N -1 1 423.516 1.865 20 0 HDADMM CCCCNc1ccc(S(=O)(=O)N(C)C)cc1[N-]S(=O)(=O)C[C@H](C)OC ZINC000509097722 1073521000 /nfs/dbraw/zinc/52/10/00/1073521000.db2.gz JMDWUPVSVDFRNF-ZDUSSCGKSA-N -1 1 407.558 1.926 20 0 HDADMM CCCCN(C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)[C@H](C)c1ccc(C)o1 ZINC000673651668 1073566784 /nfs/dbraw/zinc/56/67/84/1073566784.db2.gz VJINRBNRHXBIIZ-CYBMUJFWSA-N -1 1 411.480 1.948 20 0 HDADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)(C)C(N)=O)cc2)cc1 ZINC000057255741 1073802554 /nfs/dbraw/zinc/80/25/54/1073802554.db2.gz VXVSFXBRQRQQNJ-UHFFFAOYSA-N -1 1 403.460 1.684 20 0 HDADMM COc1ccc(NC(=O)N2CCC(c3nncn3C)CC2)cc1[N-]S(C)(=O)=O ZINC000673859222 1073827187 /nfs/dbraw/zinc/82/71/87/1073827187.db2.gz BAWKRYJPQZBXCI-UHFFFAOYSA-N -1 1 408.484 1.607 20 0 HDADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1)N1CCC[C@@H](O)C1 ZINC000029707001 1073858937 /nfs/dbraw/zinc/85/89/37/1073858937.db2.gz XPJSVDXELXBAOG-CQSZACIVSA-N -1 1 416.459 1.254 20 0 HDADMM CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)ccc1C ZINC000673896887 1073868267 /nfs/dbraw/zinc/86/82/67/1073868267.db2.gz KKIHLRNNWWHUKI-UHFFFAOYSA-N -1 1 423.516 1.613 20 0 HDADMM 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CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@](C)(O)C3CCOCC3)c2)n1 ZINC000509227443 1074390803 /nfs/dbraw/zinc/39/08/03/1074390803.db2.gz QBPAJLDSDYABIH-HXUWFJFHSA-N -1 1 402.451 1.442 20 0 HDADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@H](O)C[C@H](O)C3)cc2)c1C ZINC000674804032 1074571535 /nfs/dbraw/zinc/57/15/35/1074571535.db2.gz GOVWHVSTTVMMBF-CALCHBBNSA-N -1 1 404.488 1.672 20 0 HDADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3C[C@H](O)C[C@H](O)C3)c2)cc1 ZINC000674807931 1074579107 /nfs/dbraw/zinc/57/91/07/1074579107.db2.gz GFBUDQYMAAQSOM-CALCHBBNSA-N -1 1 420.487 1.454 20 0 HDADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCOC[C@@H]2C2CC2)o1 ZINC000766082537 1074619309 /nfs/dbraw/zinc/61/93/09/1074619309.db2.gz YICHXOCSYSHOLK-CYBMUJFWSA-N -1 1 414.480 1.151 20 0 HDADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCN3CCOC[C@H]3C2)cc1 ZINC000543613038 1074707468 /nfs/dbraw/zinc/70/74/68/1074707468.db2.gz PCRRITZKYWPBPC-GOSISDBHSA-N -1 1 415.515 1.952 20 0 HDADMM 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Cn1nccc1[C@H]1C[C@@H](NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CCO1 ZINC001129066101 1075277959 /nfs/dbraw/zinc/27/79/59/1075277959.db2.gz DNEHUXVEPHVEDR-SWLSCSKDSA-N -1 1 410.496 1.740 20 0 HDADMM CCOC(=O)c1cc(NC(=O)c2ccc(I)c([O-])c2)[nH]n1 ZINC000546207860 1075298997 /nfs/dbraw/zinc/29/89/97/1075298997.db2.gz GZZHWRICBHCLJG-UHFFFAOYSA-N -1 1 401.160 2.149 20 0 HDADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)Nc3nnc(OC)s3)c2)n1 ZINC000549004207 1075336123 /nfs/dbraw/zinc/33/61/23/1075336123.db2.gz RHKHXZLTRFZUPQ-UHFFFAOYSA-N -1 1 403.424 1.830 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCCC1N=NC(=S)N1C1CC1 ZINC000731442672 1075339287 /nfs/dbraw/zinc/33/92/87/1075339287.db2.gz IZYDPQSVYDDYLU-UHFFFAOYSA-N -1 1 401.496 1.558 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCC(=O)NCCOc1cccc(F)c1 ZINC000731447310 1075344103 /nfs/dbraw/zinc/34/41/03/1075344103.db2.gz VLEMEANMOPPCIS-UHFFFAOYSA-N -1 1 416.409 1.472 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000731448076 1075345066 /nfs/dbraw/zinc/34/50/66/1075345066.db2.gz VLWNEGWZJFGGJS-LBPRGKRZSA-N -1 1 414.384 1.938 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C ZINC000731447784 1075345476 /nfs/dbraw/zinc/34/54/76/1075345476.db2.gz LCITXLSOLXBYTC-IAQYHMDHSA-N -1 1 417.466 1.542 20 0 HDADMM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(NC(=O)C(N)=O)c2)c1 ZINC000509380985 1075355408 /nfs/dbraw/zinc/35/54/08/1075355408.db2.gz ZCBLSPDCWDQHSF-UHFFFAOYSA-N -1 1 405.432 1.396 20 0 HDADMM Cc1c(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)nnn1-c1ccc2c(c1)OCCO2 ZINC000731526707 1075375595 /nfs/dbraw/zinc/37/55/95/1075375595.db2.gz UVUUDNWGYJJZLF-UHFFFAOYSA-N -1 1 422.397 1.460 20 0 HDADMM COC(=O)c1cc(F)c(C)c(S(=O)(=O)[N-]c2cccc(NC(=O)C(N)=O)c2)c1 ZINC000509385231 1075387571 /nfs/dbraw/zinc/38/75/71/1075387571.db2.gz HINSRGAUGLNUDJ-UHFFFAOYSA-N -1 1 409.395 1.145 20 0 HDADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)CCS(C)(=O)=O)cc1 ZINC000731596484 1075404844 /nfs/dbraw/zinc/40/48/44/1075404844.db2.gz LZVULYJMVJPZEW-UHFFFAOYSA-N -1 1 417.530 1.614 20 0 HDADMM Cn1c2ccc(S(=O)(=O)[N-]c3cccc4c3CCN4S(C)(=O)=O)cc2oc1=O ZINC000543662355 1075432324 /nfs/dbraw/zinc/43/23/24/1075432324.db2.gz GYPXMTCBZJRVEZ-UHFFFAOYSA-N -1 1 423.472 1.254 20 0 HDADMM C[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)[C@H]1CN(C)CCO1 ZINC000676256924 1075451517 /nfs/dbraw/zinc/45/15/17/1075451517.db2.gz JAMMHHXAVDBBEP-HNAYVOBHSA-N -1 1 403.504 1.936 20 0 HDADMM C[C@@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)[C@@H]1CN(C)CCO1 ZINC000676257905 1075452196 /nfs/dbraw/zinc/45/21/96/1075452196.db2.gz NTKGWLYJJMEDLV-BEFAXECRSA-N -1 1 403.504 1.936 20 0 HDADMM CCC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1nn[n-]n1 ZINC000676338109 1075511943 /nfs/dbraw/zinc/51/19/43/1075511943.db2.gz IWZUEWUWXZPENE-CABZTGNLSA-N -1 1 420.417 1.543 20 0 HDADMM CCC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1nn[n-]n1 ZINC000676338114 1075512041 /nfs/dbraw/zinc/51/20/41/1075512041.db2.gz IWZUEWUWXZPENE-JOYOIKCWSA-N -1 1 420.417 1.543 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000509407373 1075517198 /nfs/dbraw/zinc/51/71/98/1075517198.db2.gz YZKITHFVOKGQDS-QGZVFWFLSA-N -1 1 411.462 1.885 20 0 HDADMM CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCNC(=O)C3)cc2)cc1 ZINC000731782355 1075523333 /nfs/dbraw/zinc/52/33/33/1075523333.db2.gz QGDCMKXKGNTVEA-UHFFFAOYSA-N -1 1 423.516 1.217 20 0 HDADMM O=C([C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000731853750 1075535346 /nfs/dbraw/zinc/53/53/46/1075535346.db2.gz PDVTWXNAQKWVKO-JSGCOSHPSA-N -1 1 424.383 1.167 20 0 HDADMM O=C([C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000731853748 1075535386 /nfs/dbraw/zinc/53/53/86/1075535386.db2.gz PDVTWXNAQKWVKO-GXTWGEPZSA-N -1 1 424.383 1.167 20 0 HDADMM O=C(c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000731855626 1075536590 /nfs/dbraw/zinc/53/65/90/1075536590.db2.gz XDJVYFFSOLMSRG-HNNXBMFYSA-N -1 1 401.377 1.366 20 0 HDADMM O=C(c1ccc(Cl)c(I)c1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000731855410 1075537016 /nfs/dbraw/zinc/53/70/16/1075537016.db2.gz KVHGJUHNMCRQCN-JTQLQIEISA-N -1 1 419.610 1.671 20 0 HDADMM Cc1ccc(-n2ncc(C(=O)N3CCO[C@H](c4nn[n-]n4)C3)c2C(F)(F)F)cc1 ZINC000731855114 1075537839 /nfs/dbraw/zinc/53/78/39/1075537839.db2.gz RJIWMFOODVEJBH-ZDUSSCGKSA-N -1 1 407.356 1.926 20 0 HDADMM CCNS(=O)(=O)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000731835186 1075542810 /nfs/dbraw/zinc/54/28/10/1075542810.db2.gz SKZZQHQTGQJGIH-KRWDZBQOSA-N -1 1 419.503 1.206 20 0 HDADMM C[C@@H](CNC(=O)CCn1cc[n-]c(=O)c1=O)Sc1ccc(Br)cc1 ZINC000731839410 1075545115 /nfs/dbraw/zinc/54/51/15/1075545115.db2.gz XJTGIFXRSOIDIV-NSHDSACASA-N -1 1 412.309 1.986 20 0 HDADMM O=C(Cc1csc(NC(=O)c2cccs2)n1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000731880537 1075551172 /nfs/dbraw/zinc/55/11/72/1075551172.db2.gz PIVYAGYUWIOASN-SNVBAGLBSA-N -1 1 405.465 1.113 20 0 HDADMM CCc1oc(C(=O)[N-]c2ncn(CC(=O)NCc3ccccc3)n2)cc1C(=O)OC ZINC000554964816 1075552806 /nfs/dbraw/zinc/55/28/06/1075552806.db2.gz CQRCOFLGDWADAR-UHFFFAOYSA-N -1 1 411.418 1.789 20 0 HDADMM Cc1sc(C(N)=O)cc1[N-]S(=O)(=O)c1ccc(OCc2ncnn2C)cc1 ZINC000676559758 1075601040 /nfs/dbraw/zinc/60/10/40/1075601040.db2.gz VVSYCBDGZOZOHN-UHFFFAOYSA-N -1 1 407.477 1.664 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCC[C@@H](C2N=NC(=S)N2C)C1 ZINC000732076828 1075614804 /nfs/dbraw/zinc/61/48/04/1075614804.db2.gz WJVMXCKFDWKERR-CYBMUJFWSA-N -1 1 415.523 1.808 20 0 HDADMM COc1ccc(C(=O)N[C@H](C(=O)N2CCO[C@H](c3nn[n-]n3)C2)c2ccccc2)cc1 ZINC000732088902 1075621433 /nfs/dbraw/zinc/62/14/33/1075621433.db2.gz HQCMSZMUICOHPI-ROUUACIJSA-N -1 1 422.445 1.280 20 0 HDADMM Cc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)cc1 ZINC000732089491 1075623172 /nfs/dbraw/zinc/62/31/72/1075623172.db2.gz NQASPRRNSFSUNU-DLBZAZTESA-N -1 1 415.498 1.322 20 0 HDADMM O=C([C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732089448 1075623499 /nfs/dbraw/zinc/62/34/99/1075623499.db2.gz MVRTUJUWOZDYFZ-TVQRCGJNSA-N -1 1 411.249 1.460 20 0 HDADMM O=C(c1csc(-c2cnn(-c3ccccc3)c2)n1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732090915 1075624396 /nfs/dbraw/zinc/62/43/96/1075624396.db2.gz QFVUGGOTZCPYLD-HNNXBMFYSA-N -1 1 408.447 1.723 20 0 HDADMM CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732091714 1075626153 /nfs/dbraw/zinc/62/61/53/1075626153.db2.gz OCYLWAAPSOSOII-CABCVRRESA-N -1 1 406.874 1.598 20 0 HDADMM O=C(c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732091242 1075627178 /nfs/dbraw/zinc/62/71/78/1075627178.db2.gz WLSWUXIAJRXIBC-ZDUSSCGKSA-N -1 1 410.356 1.559 20 0 HDADMM Cc1cccc(-n2ncc(C(=O)N3CCO[C@H](c4nn[n-]n4)C3)c2C(F)(F)F)c1 ZINC000732091160 1075627493 /nfs/dbraw/zinc/62/74/93/1075627493.db2.gz TUVXTGMZZBMZCX-ZDUSSCGKSA-N -1 1 407.356 1.926 20 0 HDADMM C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000676640586 1075629892 /nfs/dbraw/zinc/62/98/92/1075629892.db2.gz KOIUYVRYPGDMQR-AWEZNQCLSA-N -1 1 402.474 1.566 20 0 HDADMM Cn1cc(S(=O)(=O)[N-][C@@H](c2ccc(Cl)cc2)C(F)(F)F)c(=O)n(C)c1=O ZINC000543684564 1075671557 /nfs/dbraw/zinc/67/15/57/1075671557.db2.gz SNONYHIOWIAJJF-NSHDSACASA-N -1 1 411.789 1.319 20 0 HDADMM Cn1cc(S(=O)(=O)[N-][C@H](c2ccc(Cl)cc2)C(F)(F)F)c(=O)n(C)c1=O ZINC000543684562 1075671589 /nfs/dbraw/zinc/67/15/89/1075671589.db2.gz SNONYHIOWIAJJF-LLVKDONJSA-N -1 1 411.789 1.319 20 0 HDADMM CC[C@H](C(=O)N1CCC([N-]S(=O)(=O)c2c(C)onc2N)CC1)c1ccccc1 ZINC000568376241 1075674215 /nfs/dbraw/zinc/67/42/15/1075674215.db2.gz LREAGGQWDXBXBB-INIZCTEOSA-N -1 1 406.508 2.028 20 0 HDADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCCc3nc(N)no3)c2)c1 ZINC000461541169 1075715666 /nfs/dbraw/zinc/71/56/66/1075715666.db2.gz CZOYERZKMMPEDO-UHFFFAOYSA-N -1 1 415.475 2.042 20 0 HDADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NCCc3nc(N)no3)c2)c1 ZINC000480109966 1075715717 /nfs/dbraw/zinc/71/57/17/1075715717.db2.gz PNHJJXJTLROLPV-UHFFFAOYSA-N -1 1 401.448 1.734 20 0 HDADMM Cc1onc(N)c1S(=O)(=O)[N-]C[C@H](CO)Cc1ccc(Br)cc1 ZINC000564341302 1075728646 /nfs/dbraw/zinc/72/86/46/1075728646.db2.gz KSSZRCWWNBHBMN-LLVKDONJSA-N -1 1 404.286 1.457 20 0 HDADMM Cc1onc(N)c1S(=O)(=O)[N-]Cc1cc(Br)c2c(c1)OCCO2 ZINC000580379395 1075728661 /nfs/dbraw/zinc/72/86/61/1075728661.db2.gz YOMWGVLBKLDRFA-UHFFFAOYSA-N -1 1 404.242 1.577 20 0 HDADMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000582932977 1075730758 /nfs/dbraw/zinc/73/07/58/1075730758.db2.gz ZPQAEFSUMCYXBQ-CYBMUJFWSA-N -1 1 400.407 1.313 20 0 HDADMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000569411672 1075731098 /nfs/dbraw/zinc/73/10/98/1075731098.db2.gz REPHKFDXCXIGCX-LLVKDONJSA-N -1 1 415.269 1.412 20 0 HDADMM Nc1noc(CCNC(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)n1 ZINC000470859820 1075760402 /nfs/dbraw/zinc/76/04/02/1075760402.db2.gz QLNBWZVRATYFRD-UHFFFAOYSA-N -1 1 423.401 1.703 20 0 HDADMM Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2C[C@H](F)CN2Cc2cnn(C)c2)cc1F ZINC000509271581 1075791993 /nfs/dbraw/zinc/79/19/93/1075791993.db2.gz ULFYVPWKPCHVFZ-KBPBESRZSA-N -1 1 402.442 1.898 20 0 HDADMM CCNC(=O)OC[C@H]1CCCCN1C(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000804241420 1075798681 /nfs/dbraw/zinc/79/86/81/1075798681.db2.gz ZUAANTPDRYGRPG-MRXNPFEDSA-N -1 1 413.478 1.810 20 0 HDADMM NC(=O)CCn1ccc(NC(=O)c2c([O-])cnc3c(Br)cccc32)n1 ZINC000562134540 1075833359 /nfs/dbraw/zinc/83/33/59/1075833359.db2.gz ORNJGJGXAFXCJF-UHFFFAOYSA-N -1 1 404.224 2.027 20 0 HDADMM O=C(N[C@@]1(CO)CCOC1)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000543604412 1075834259 /nfs/dbraw/zinc/83/42/59/1075834259.db2.gz SVQNWAMRZZHSQX-GOSISDBHSA-N -1 1 412.414 1.647 20 0 HDADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1cncc(I)c1 ZINC000611140631 1075859844 /nfs/dbraw/zinc/85/98/44/1075859844.db2.gz MLLCNPLFCZFSMM-GFCCVEGCSA-N -1 1 406.187 1.719 20 0 HDADMM CSCC[C@H](C(=O)N1CCC[C@H](c2nn[n-]n2)C1)N1C(=O)c2ccccc2C1=O ZINC000611215196 1075877926 /nfs/dbraw/zinc/87/79/26/1075877926.db2.gz XGEOWEDKRCRWNU-SWLSCSKDSA-N -1 1 414.491 1.324 20 0 HDADMM CCOC(=O)[C@@H](CO)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000611289129 1075893448 /nfs/dbraw/zinc/89/34/48/1075893448.db2.gz VNTZGZUSBMMENP-QGZVFWFLSA-N -1 1 424.450 1.589 20 0 HDADMM O=S(=O)([N-]CC1CCN(S(=O)(=O)C(F)F)CC1)c1cc(F)c(F)cc1F ZINC000732986366 1075939049 /nfs/dbraw/zinc/93/90/49/1075939049.db2.gz VJIWUAHTIQDTGC-UHFFFAOYSA-N -1 1 422.397 1.647 20 0 HDADMM COC(=O)Cc1c(C(=O)OC)sc2[n-]c(CN3CC[C@@H](C)[C@H](F)C3)nc(=O)c12 ZINC000611501711 1075949882 /nfs/dbraw/zinc/94/98/82/1075949882.db2.gz HJVFBQFCIYWIOJ-MWLCHTKSSA-N -1 1 411.455 1.667 20 0 HDADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCCS(=O)(=O)C(C)(C)C ZINC000733180680 1076010219 /nfs/dbraw/zinc/01/02/19/1076010219.db2.gz CNPFDDOBQIWXKN-UHFFFAOYSA-N -1 1 406.508 1.815 20 0 HDADMM C[C@@H](O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OCc3nnnn3C)cc2)cc1 ZINC000733378604 1076062720 /nfs/dbraw/zinc/06/27/20/1076062720.db2.gz XULKPVPZWMCUKB-GFCCVEGCSA-N -1 1 417.447 1.421 20 0 HDADMM Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000733516210 1076086303 /nfs/dbraw/zinc/08/63/03/1076086303.db2.gz OBLXJMXIWUXXOV-KRWDZBQOSA-N -1 1 411.393 1.404 20 0 HDADMM COCCOC(=O)c1c(C)[nH]c(C(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)c1C ZINC000733884657 1076239195 /nfs/dbraw/zinc/23/91/95/1076239195.db2.gz ZUUGLHWKMGCBSY-UHFFFAOYSA-N -1 1 415.450 1.730 20 0 HDADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C(C)C)o1 ZINC000733886169 1076242345 /nfs/dbraw/zinc/24/23/45/1076242345.db2.gz OFXHGFNXTLRGLH-KRWDZBQOSA-N -1 1 403.501 1.857 20 0 HDADMM CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CCn1cc[n-]c(=O)c1=O ZINC000727847689 1076270250 /nfs/dbraw/zinc/27/02/50/1076270250.db2.gz PQBAFWJENPACRX-UHFFFAOYSA-N -1 1 412.368 1.433 20 0 HDADMM CCOC(=O)c1cnn(-c2cccc(NC(=O)CCn3cc[n-]c(=O)c3=O)c2)c1C ZINC000727849751 1076270878 /nfs/dbraw/zinc/27/08/78/1076270878.db2.gz LJWKNDCXGUPADM-UHFFFAOYSA-N -1 1 411.418 1.236 20 0 HDADMM COC(=O)C[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)c1cccc(Br)c1 ZINC000727852346 1076271774 /nfs/dbraw/zinc/27/17/74/1076271774.db2.gz VAVXUSJVBVTADI-CYBMUJFWSA-N -1 1 424.251 1.110 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000727853611 1076272136 /nfs/dbraw/zinc/27/21/36/1076272136.db2.gz ORELZIPYOWCVNH-CQSZACIVSA-N -1 1 413.409 1.522 20 0 HDADMM CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCN(C(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC000727853903 1076273126 /nfs/dbraw/zinc/27/31/26/1076273126.db2.gz SUVHDWGYSSBNHY-JKSUJKDBSA-N -1 1 420.510 1.565 20 0 HDADMM CCOC(=O)C1CCN(S(=O)(=O)[N-][C@H](C(=O)OC)c2cc(F)ccc2F)CC1 ZINC000728059585 1076313836 /nfs/dbraw/zinc/31/38/36/1076313836.db2.gz ZCPOARXRFDZAEY-HNNXBMFYSA-N -1 1 420.434 1.288 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)OCC(=O)NCC(=O)c1ccccc1 ZINC000728097336 1076330030 /nfs/dbraw/zinc/33/00/30/1076330030.db2.gz FSMUQAOQIMFWAB-UHFFFAOYSA-N -1 1 410.430 1.527 20 0 HDADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2c(F)cccc2-n2cccn2)c1 ZINC000730204095 1076482417 /nfs/dbraw/zinc/48/24/17/1076482417.db2.gz JMFVJWKNBYKJSZ-UHFFFAOYSA-N -1 1 410.452 1.720 20 0 HDADMM CC(=O)N1CSC[C@H]1C(=O)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000730306280 1076522186 /nfs/dbraw/zinc/52/21/86/1076522186.db2.gz HNDSNBRGKUQAMQ-LBPRGKRZSA-N -1 1 402.375 1.009 20 0 HDADMM CCCCC(=O)N1CSC[C@@H]1C(=O)OCC(=O)[N-]C(=O)c1ccc(OC)cc1 ZINC000730330741 1076543464 /nfs/dbraw/zinc/54/34/64/1076543464.db2.gz VWPYLKKNUOCPKO-OAHLLOKOSA-N -1 1 408.476 1.587 20 0 HDADMM O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1ccccc1NS(=O)(=O)c1ccccc1 ZINC000730541291 1076586238 /nfs/dbraw/zinc/58/62/38/1076586238.db2.gz UPHVAWXZIBQLSZ-UHFFFAOYSA-N -1 1 424.442 1.511 20 0 HDADMM CCCN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000730542484 1076595842 /nfs/dbraw/zinc/59/58/42/1076595842.db2.gz WJVJCMREPGSRGC-GOSISDBHSA-N -1 1 408.506 1.974 20 0 HDADMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)o1 ZINC000730811371 1076667021 /nfs/dbraw/zinc/66/70/21/1076667021.db2.gz FYBIMLXWHVXKMA-LBPRGKRZSA-N -1 1 402.469 1.992 20 0 HDADMM COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N[C@]2(C(=O)[O-])CCOC2)cc1 ZINC000540674806 939290738 /nfs/dbraw/zinc/29/07/38/939290738.db2.gz JPFLOYJFSDCQQO-LJQANCHMSA-N -1 1 420.443 1.470 20 0 HDADMM Cc1nc(C(=O)N[C@H](C(=O)[O-])c2ccccc2F)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000678988326 939869377 /nfs/dbraw/zinc/86/93/77/939869377.db2.gz UILNMTQMCGPBEG-VIFPVBQESA-N -1 1 413.291 1.407 20 0 HDADMM CNS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)cc1 ZINC000625071223 1073466824 /nfs/dbraw/zinc/46/68/24/1073466824.db2.gz DJRIQXIBBZACEG-UHFFFAOYSA-N -1 1 402.425 1.541 20 0 HDADMM CCNc1ccc(S(=O)(=O)N(CC)CC)cc1[N-]S(=O)(=O)C[C@H](C)OC ZINC000509094088 1073514583 /nfs/dbraw/zinc/51/45/83/1073514583.db2.gz APYRTCINYFYABF-ZDUSSCGKSA-N -1 1 407.558 1.926 20 0 HDADMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(CN3C(=O)CNC3=O)cc2)c1 ZINC000028254553 1073612669 /nfs/dbraw/zinc/61/26/69/1073612669.db2.gz KXDSDCQTRMDFFZ-UHFFFAOYSA-N -1 1 417.443 1.634 20 0 HDADMM Cn1[n-]cc2c(=NC(=O)[C@H]3Cc4ccc(Br)cc4C(=O)O3)ccnc1-2 ZINC001128531725 1073653392 /nfs/dbraw/zinc/65/33/92/1073653392.db2.gz AAPRKLGVRREOML-CQSZACIVSA-N -1 1 401.220 1.825 20 0 HDADMM COc1ccc(NC(=O)N2CCC(N3CCNC3=O)CC2)cc1[N-]S(C)(=O)=O ZINC000673860070 1073828980 /nfs/dbraw/zinc/82/89/80/1073828980.db2.gz OSTCSSVZRCAPKZ-UHFFFAOYSA-N -1 1 411.484 1.088 20 0 HDADMM Cc1cccc(OCCNC(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)c1 ZINC000014516238 1073906247 /nfs/dbraw/zinc/90/62/47/1073906247.db2.gz FBYYIRXQHXWUHU-UHFFFAOYSA-N -1 1 400.479 1.351 20 0 HDADMM O=C(NCc1nn[n-]n1)c1cc(I)ccc1Br ZINC000227614874 1073923553 /nfs/dbraw/zinc/92/35/53/1073923553.db2.gz OVWXNGCIGQUTTC-UHFFFAOYSA-N -1 1 407.997 1.497 20 0 HDADMM CCOCCOc1ccc(Br)cc1S(=O)(=O)[N-]CC(F)(F)CO ZINC000466563457 1073936293 /nfs/dbraw/zinc/93/62/93/1073936293.db2.gz BSGROZHUGASEED-UHFFFAOYSA-N -1 1 418.256 1.770 20 0 HDADMM C[C@@H](C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000674603628 1074474772 /nfs/dbraw/zinc/47/47/72/1074474772.db2.gz OWXGCALRVOQXPC-CXAGYDPISA-N -1 1 414.491 1.459 20 0 HDADMM CC[C@H](NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)C(=O)N1CCOCC1 ZINC000674647658 1074496650 /nfs/dbraw/zinc/49/66/50/1074496650.db2.gz RRVOTSGOUUEVGA-SFHVURJKSA-N -1 1 403.479 1.634 20 0 HDADMM CCOC(=O)c1c[n-]c(NC(=O)[C@H](CSC)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)n1 ZINC001128846768 1074589989 /nfs/dbraw/zinc/58/99/89/1074589989.db2.gz GXWRVLVWXAAGCR-GVXVVHGQSA-N -1 1 408.480 1.432 20 0 HDADMM CCOC(=O)c1cnc(NC(=O)CCCN(C)C2=NS(=O)(=O)c3ccccc32)[n-]1 ZINC001128946645 1074727305 /nfs/dbraw/zinc/72/73/05/1074727305.db2.gz VYZNICHAYGYPHP-UHFFFAOYSA-N -1 1 419.463 1.386 20 0 HDADMM CCOC(=O)c1c[n-]c(NC(=O)CCCN(C)C2=NS(=O)(=O)c3ccccc32)n1 ZINC001128946645 1074727313 /nfs/dbraw/zinc/72/73/13/1074727313.db2.gz VYZNICHAYGYPHP-UHFFFAOYSA-N -1 1 419.463 1.386 20 0 HDADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@]3(CCS(=O)(=O)C3)C2)o1 ZINC001128964507 1074768164 /nfs/dbraw/zinc/76/81/64/1074768164.db2.gz SNMKEOMQZGRKSO-KRWDZBQOSA-N -1 1 418.537 1.397 20 0 HDADMM COc1cncc(S(=O)(=O)[N-]c2ccccc2CN2CCC[C@H](C(N)=O)C2)c1 ZINC000509242327 1075093344 /nfs/dbraw/zinc/09/33/44/1075093344.db2.gz ZOYJDMWWZIBSEC-HNNXBMFYSA-N -1 1 404.492 1.588 20 0 HDADMM O=C(Nc1cc(-c2cc(F)cc(Br)c2)[nH]n1)c1cc(=O)n2[n-]cnc2n1 ZINC000582637106 1075102741 /nfs/dbraw/zinc/10/27/41/1075102741.db2.gz URGYBPLAMFRAJC-UHFFFAOYSA-N -1 1 418.186 1.962 20 0 HDADMM C[C@@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)C[C@@H]1O ZINC000509339563 1075161423 /nfs/dbraw/zinc/16/14/23/1075161423.db2.gz BREYZNIFVOWCEX-DYVFJYSZSA-N -1 1 418.471 1.711 20 0 HDADMM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccccc1CN1CCC[C@@H](C(N)=O)C1 ZINC000509249830 1075173010 /nfs/dbraw/zinc/17/30/10/1075173010.db2.gz RVYCLKPULPKGNZ-MRXNPFEDSA-N -1 1 405.524 1.535 20 0 HDADMM Cc1nc(C(=O)N[C@H](CC(=O)[O-])c2cccs2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000675950163 1075313001 /nfs/dbraw/zinc/31/30/01/1075313001.db2.gz QQQWXMLWJDYUTC-SSDOTTSWSA-N -1 1 415.357 1.720 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000731446391 1075343612 /nfs/dbraw/zinc/34/36/12/1075343612.db2.gz JBGRDXFQZGCPAM-UHFFFAOYSA-N -1 1 412.402 1.547 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCC(=O)NCCOc1ccc(F)cc1 ZINC000731448090 1075345238 /nfs/dbraw/zinc/34/52/38/1075345238.db2.gz VVJSLMPLNQZOHX-UHFFFAOYSA-N -1 1 416.409 1.472 20 0 HDADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccn(CC(N)=O)n2)cc1 ZINC000617448555 1075361711 /nfs/dbraw/zinc/36/17/11/1075361711.db2.gz CSUIEAHRXUERDD-UHFFFAOYSA-N -1 1 413.459 1.730 20 0 HDADMM NS(=O)(=O)c1cccc([N-]S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)c1 ZINC000543656977 1075375013 /nfs/dbraw/zinc/37/50/13/1075375013.db2.gz MYGAWZSHRKQYFC-UHFFFAOYSA-N -1 1 421.500 1.360 20 0 HDADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)N3CCOCC3)cc2)cn1 ZINC000543659729 1075405401 /nfs/dbraw/zinc/40/54/01/1075405401.db2.gz UPDKAEMLTZDSLE-UHFFFAOYSA-N -1 1 405.476 1.682 20 0 HDADMM NS(=O)(=O)c1ccc(CC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)s1 ZINC000676188090 1075417090 /nfs/dbraw/zinc/41/70/90/1075417090.db2.gz ZYYNCQAUNIWTDS-UHFFFAOYSA-N -1 1 408.501 1.765 20 0 HDADMM NC(=O)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)c1 ZINC000509393199 1075446958 /nfs/dbraw/zinc/44/69/58/1075446958.db2.gz XDPJRSDFTCVGFS-UHFFFAOYSA-N -1 1 403.338 1.652 20 0 HDADMM C[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)[C@H]1CN(C)CCO1 ZINC000676256923 1075451492 /nfs/dbraw/zinc/45/14/92/1075451492.db2.gz JAMMHHXAVDBBEP-DNVCBOLYSA-N -1 1 403.504 1.936 20 0 HDADMM O=C(CCCc1ccccc1)N[C@H]1CCCN(C(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC000804129838 1075497674 /nfs/dbraw/zinc/49/76/74/1075497674.db2.gz QCYCGFZYFWCACR-SFHVURJKSA-N -1 1 412.490 1.057 20 0 HDADMM O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000731852730 1075534377 /nfs/dbraw/zinc/53/43/77/1075534377.db2.gz FAPZXSRHUWXAHE-QZTJIDSGSA-N -1 1 406.446 1.661 20 0 HDADMM O=C(c1ccc(-n2cc(Br)cn2)cc1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000731855232 1075537541 /nfs/dbraw/zinc/53/75/41/1075537541.db2.gz WJLOOWBHHNOCLS-ZDUSSCGKSA-N -1 1 404.228 1.362 20 0 HDADMM O=C(Cc1csc(NC(=O)c2cccs2)n1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000731880536 1075551307 /nfs/dbraw/zinc/55/13/07/1075551307.db2.gz PIVYAGYUWIOASN-JTQLQIEISA-N -1 1 405.465 1.113 20 0 HDADMM O=C(Cc1cccs1)Nc1nc(CC(=O)N2CCO[C@H](c3nn[n-]n3)C2)cs1 ZINC000732091993 1075608827 /nfs/dbraw/zinc/60/88/27/1075608827.db2.gz UGBOUKXOJGPGRL-LBPRGKRZSA-N -1 1 419.492 1.042 20 0 HDADMM O=C(c1ccc(Cl)s1)N1CCC(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)CC1 ZINC000732092345 1075608842 /nfs/dbraw/zinc/60/88/42/1075608842.db2.gz YDCQBBNHCFICRK-NSHDSACASA-N -1 1 410.887 1.367 20 0 HDADMM CSc1nc(C)c(CCC(=O)N2CCC[C@H](C3N=NC(=S)N3C)C2)c(=O)[n-]1 ZINC000732077615 1075616699 /nfs/dbraw/zinc/61/66/99/1075616699.db2.gz NLTFFHPLZFOSKW-NSHDSACASA-N -1 1 408.553 1.969 20 0 HDADMM Cc1ccc2nc(COc3ccc(C(=O)N4CCO[C@@H](c5nn[n-]n5)C4)cc3)cn2c1 ZINC000732088912 1075621836 /nfs/dbraw/zinc/62/18/36/1075621836.db2.gz HYZHJIWTCMUACQ-GOSISDBHSA-N -1 1 419.445 1.949 20 0 HDADMM O=C([C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732088419 1075622209 /nfs/dbraw/zinc/62/22/09/1075622209.db2.gz ARSYOESTLNKBHX-ZWNOBZJWSA-N -1 1 411.249 1.460 20 0 HDADMM O=C(c1cnn(-c2ccccc2F)c1C(F)(F)F)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732089657 1075622669 /nfs/dbraw/zinc/62/26/69/1075622669.db2.gz QFRWARDOGFKSQK-LBPRGKRZSA-N -1 1 411.319 1.757 20 0 HDADMM Cc1ccc(CNC(=O)N[C@H](CC(C)C)C(=O)N2CCO[C@H](c3nn[n-]n3)C2)cc1 ZINC000732089502 1075623086 /nfs/dbraw/zinc/62/30/86/1075623086.db2.gz NQASPRRNSFSUNU-SJORKVTESA-N -1 1 415.498 1.322 20 0 HDADMM CC(C)(C)OC(=O)N1[C@H](C(=O)N2CCO[C@H](c3nn[n-]n3)C2)C[C@H]2CCCC[C@@H]21 ZINC000732089554 1075623530 /nfs/dbraw/zinc/62/35/30/1075623530.db2.gz JWTIHIRBPHTODA-QPSCCSFWSA-N -1 1 406.487 1.668 20 0 HDADMM CCc1nc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)nn1-c1c(Cl)cccc1Cl ZINC000732090577 1075624860 /nfs/dbraw/zinc/62/48/60/1075624860.db2.gz WZCMBLHHFYKISM-LLVKDONJSA-N -1 1 423.264 1.863 20 0 HDADMM O=C(c1ccc(I)cc1Cl)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732090617 1075624869 /nfs/dbraw/zinc/62/48/69/1075624869.db2.gz YMLMLONYKPLAJN-JTQLQIEISA-N -1 1 419.610 1.671 20 0 HDADMM COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)cc1OC ZINC000732091515 1075626207 /nfs/dbraw/zinc/62/62/07/1075626207.db2.gz HCTLWELSFJIUBM-LYOVBCGYSA-N -1 1 416.438 1.025 20 0 HDADMM O=C(CCNC(=O)Nc1ccc(Br)cc1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732091457 1075627169 /nfs/dbraw/zinc/62/71/69/1075627169.db2.gz FDQGMKCOMKAEHH-LBPRGKRZSA-N -1 1 424.259 1.074 20 0 HDADMM COc1cccc(-c2nsc(NC([O-])=Cc3c(C)nc4nc(N)nn4c3C)n2)c1 ZINC000478681290 1075631510 /nfs/dbraw/zinc/63/15/10/1075631510.db2.gz ZWOYZAKMPKAXDT-UHFFFAOYSA-N -1 1 410.463 1.454 20 0 HDADMM Cn1c2cc(-c3nc(Cc4nc(N)nc(=Nc5ccccc5)[n-]4)no3)ccc2[nH]c1=O ZINC000547001433 1075735182 /nfs/dbraw/zinc/73/51/82/1075735182.db2.gz HXMVHFCXWGNLPT-UHFFFAOYSA-N -1 1 415.417 1.852 20 0 HDADMM Cc1ccc(C(=O)NCCc2nc(N)no2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000472052041 1075749011 /nfs/dbraw/zinc/74/90/11/1075749011.db2.gz BRRKMZOWUFGUGF-UHFFFAOYSA-N -1 1 419.438 1.873 20 0 HDADMM COc1cc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)ccc1OCC(=O)NC(C)C ZINC000509262253 1075750052 /nfs/dbraw/zinc/75/00/52/1075750052.db2.gz GPMVJPXSGJWNQS-UHFFFAOYSA-N -1 1 418.450 1.707 20 0 HDADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2c(C)nn(C)c2C)C(F)(F)F)cn1 ZINC000543691459 1075783692 /nfs/dbraw/zinc/78/36/92/1075783692.db2.gz WOKDSYQWUPAHNW-ZDUSSCGKSA-N -1 1 406.386 1.800 20 0 HDADMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000021006352 1076060100 /nfs/dbraw/zinc/06/01/00/1076060100.db2.gz RXMKQXCVIPBJQJ-CQSZACIVSA-N -1 1 421.519 1.906 20 0 HDADMM COC(=O)CCc1nc(COC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)no1 ZINC000733442779 1076077548 /nfs/dbraw/zinc/07/75/48/1076077548.db2.gz UGHRWFFKBHHZPQ-UHFFFAOYSA-N -1 1 415.424 1.202 20 0 HDADMM COC(=O)C[C@@H]([N-]S(=O)(=O)/C=C\c1ccc(Br)cc1)C(=O)OC ZINC000727442561 1076123185 /nfs/dbraw/zinc/12/31/85/1076123185.db2.gz FISVYEBUNAMKMC-QDZRJHCZSA-N -1 1 406.254 1.444 20 0 HDADMM C[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000733778143 1076203291 /nfs/dbraw/zinc/20/32/91/1076203291.db2.gz MYTCHPDFLDWCEQ-AWEZNQCLSA-N -1 1 407.430 1.451 20 0 HDADMM NC(=O)c1ccn(-c2ccccc2[N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)n1 ZINC000733875568 1076226392 /nfs/dbraw/zinc/22/63/92/1076226392.db2.gz CEFZWZDMORLWGU-UHFFFAOYSA-N -1 1 410.411 1.878 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 ZINC000733884638 1076239259 /nfs/dbraw/zinc/23/92/59/1076239259.db2.gz YURQPTYZAUHVPH-UHFFFAOYSA-N -1 1 424.436 1.986 20 0 HDADMM COc1cc(CNC(=O)CCn2cc[n-]c(=O)c2=O)ccc1OCc1cccnc1 ZINC000727849882 1076271066 /nfs/dbraw/zinc/27/10/66/1076271066.db2.gz PEWAKMWQQUXWJR-UHFFFAOYSA-N -1 1 410.430 1.226 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000727853619 1076272051 /nfs/dbraw/zinc/27/20/51/1076272051.db2.gz OVVLJNWNKYGUKO-CQSZACIVSA-N -1 1 413.409 1.522 20 0 HDADMM CS(=O)(=O)CCNC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000727936569 1076289307 /nfs/dbraw/zinc/28/93/07/1076289307.db2.gz DWEOSNVQTLOCIG-UHFFFAOYSA-N -1 1 411.505 1.331 20 0 HDADMM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000728016716 1076304241 /nfs/dbraw/zinc/30/42/41/1076304241.db2.gz SJDRRCSGMKGKRG-UHFFFAOYSA-N -1 1 414.480 1.867 20 0 HDADMM C[S@@](=O)CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000730092751 1076447790 /nfs/dbraw/zinc/44/77/90/1076447790.db2.gz CPSQREWQXDUGKR-RUZDIDTESA-N -1 1 402.444 1.874 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000730287021 1076514143 /nfs/dbraw/zinc/51/41/43/1076514143.db2.gz MSBPISBBYKDUCO-AWEZNQCLSA-N -1 1 416.236 1.973 20 0 HDADMM CC1CCN([C@@H](CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c2cccs2)CC1 ZINC000730517756 1076584779 /nfs/dbraw/zinc/58/47/79/1076584779.db2.gz SHSPLWKAWIIUON-HNNXBMFYSA-N -1 1 400.508 1.722 20 0 HDADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2nccn2C)c2cccc(OC)c2)o1 ZINC000730812131 1076667333 /nfs/dbraw/zinc/66/73/33/1076667333.db2.gz PNPIMYOPWLHEQD-MRXNPFEDSA-N -1 1 405.432 1.876 20 0 HDADMM COC(=O)[C@@](C)([N-]S(=O)(=O)c1cn(C)c(C)n1)c1cccc(Br)c1 ZINC000731040127 1076716926 /nfs/dbraw/zinc/71/69/26/1076716926.db2.gz AZTWBJRMICKCBM-HNNXBMFYSA-N -1 1 416.297 1.858 20 0 HDADMM COC(=O)[C@@](C)([N-]S(=O)(=O)C[C@H]1CCCO1)c1cccc(Br)c1 ZINC000731041127 1076717112 /nfs/dbraw/zinc/71/71/12/1076717112.db2.gz RWRHFRYVVNKSSN-HIFRSBDPSA-N -1 1 406.298 1.936 20 0 HDADMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cccc(S(=O)(=O)N(C)C)c3)ccc21 ZINC000015243458 1073532341 /nfs/dbraw/zinc/53/23/41/1073532341.db2.gz JQKQURMHGZZJIV-UHFFFAOYSA-N -1 1 423.516 1.647 20 0 HDADMM COc1ccccc1[C@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000673661512 1073615309 /nfs/dbraw/zinc/61/53/09/1073615309.db2.gz GNOCWHSDPRWUIS-CQSZACIVSA-N -1 1 421.475 1.419 20 0 HDADMM CC(C)(C)n1ncnc1CS(=O)(=O)c1nc(-c2ccc3c(c2)OCCO3)n[n-]1 ZINC000509135550 1073700729 /nfs/dbraw/zinc/70/07/29/1073700729.db2.gz FQBQUXVOZRKRIJ-UHFFFAOYSA-N -1 1 404.452 1.563 20 0 HDADMM CC(C)(C)n1ncnc1CS(=O)(=O)c1n[n-]c(-c2ccc3c(c2)OCCO3)n1 ZINC000509135550 1073700736 /nfs/dbraw/zinc/70/07/36/1073700736.db2.gz FQBQUXVOZRKRIJ-UHFFFAOYSA-N -1 1 404.452 1.563 20 0 HDADMM COc1ccccc1OCCNC(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC000014370174 1073780738 /nfs/dbraw/zinc/78/07/38/1073780738.db2.gz ZQDPZWDTQNXDLQ-UHFFFAOYSA-N -1 1 416.478 1.051 20 0 HDADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2COc3ccc(F)cc32)c(F)c1 ZINC000466543673 1073823776 /nfs/dbraw/zinc/82/37/76/1073823776.db2.gz VGRILJPWCOHXGE-CYBMUJFWSA-N -1 1 404.416 1.748 20 0 HDADMM COc1cccc(S(=O)(=O)[N-]c2cccc(CC(=O)N3CCN(C)CC3)c2)c1 ZINC000673897981 1073858868 /nfs/dbraw/zinc/85/88/68/1073858868.db2.gz SUPJQIQFOBDUOP-UHFFFAOYSA-N -1 1 403.504 1.813 20 0 HDADMM COc1ccccc1CCNC(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC000014482496 1073884610 /nfs/dbraw/zinc/88/46/10/1073884610.db2.gz FWIYGIHKKZGTJS-UHFFFAOYSA-N -1 1 400.479 1.215 20 0 HDADMM Cc1ccc(NC(=O)c2nc3n(n2)CCCN3)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000673923885 1073894864 /nfs/dbraw/zinc/89/48/64/1073894864.db2.gz HCZZLSXRKISGBJ-UHFFFAOYSA-N -1 1 412.475 1.713 20 0 HDADMM CCn1cc(S(=O)(=O)Nc2cc(C(N)=O)ccc2-n2cc(C)cn2)cc1C(=O)[O-] ZINC000484058450 1073918948 /nfs/dbraw/zinc/91/89/48/1073918948.db2.gz ASVXUIVABQTGOT-UHFFFAOYSA-N -1 1 417.447 1.600 20 0 HDADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1C[C@H]1C1CC1)C2 ZINC001004983201 1073954098 /nfs/dbraw/zinc/95/40/98/1073954098.db2.gz GOHKSKADWXHGPE-VJTDZRGJSA-N -1 1 402.451 1.194 20 0 HDADMM CNS(=O)(=O)c1cc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c(C)o1 ZINC000674359397 1074292308 /nfs/dbraw/zinc/29/23/08/1074292308.db2.gz WQTVCHPRPASVJZ-UHFFFAOYSA-N -1 1 406.460 1.937 20 0 HDADMM COc1cc(F)c(S(=O)(=O)[N-]C2CCN(S(=O)(=O)C3CC3)CC2)c(F)c1 ZINC000674711091 1074538052 /nfs/dbraw/zinc/53/80/52/1074538052.db2.gz OJJCPGYZUNFFDR-UHFFFAOYSA-N -1 1 410.464 1.208 20 0 HDADMM COC(=O)c1cc(S(=O)(=O)[N-]Cc2nnc(C3CC3)n2C)c(Br)o1 ZINC000766075545 1074582185 /nfs/dbraw/zinc/58/21/85/1074582185.db2.gz AVQOXSMRJXKYKJ-UHFFFAOYSA-N -1 1 419.257 1.313 20 0 HDADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(C)(C)C)o1 ZINC001128896208 1074646272 /nfs/dbraw/zinc/64/62/72/1074646272.db2.gz MCURZVWKLHVNDE-CYBMUJFWSA-N -1 1 420.553 1.642 20 0 HDADMM COCc1nc2n(n1)C[C@@H](NC(=O)N1CCC(C(=O)c3ccc([O-])cc3)CC1)CC2 ZINC000675114251 1074726231 /nfs/dbraw/zinc/72/62/31/1074726231.db2.gz MIDXENHGQAIMEK-INIZCTEOSA-N -1 1 413.478 1.749 20 0 HDADMM COCCCNC(=O)CN(C)C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000509319015 1074770480 /nfs/dbraw/zinc/77/04/80/1074770480.db2.gz LYDJLBILCXIWKQ-UHFFFAOYSA-N -1 1 401.467 1.096 20 0 HDADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)C2CCN(S(C)(=O)=O)CC2)c1 ZINC001128974723 1074776898 /nfs/dbraw/zinc/77/68/98/1074776898.db2.gz MZLFDBZDMYQRJB-UHFFFAOYSA-N -1 1 421.441 1.784 20 0 HDADMM COc1cc(NC(=O)c2ccc(-n3[n-]c(=O)[nH]c3=O)cc2)c(OC)c(C)c1OC ZINC001626107685 1075095780 /nfs/dbraw/zinc/09/57/80/1075095780.db2.gz WIZSPYAYUJDSFY-UHFFFAOYSA-N -1 1 400.391 1.853 20 0 HDADMM Cc1ccc(NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)cc1S(N)(=O)=O ZINC000042105540 1075145080 /nfs/dbraw/zinc/14/50/80/1075145080.db2.gz ZIXXLTJZQALEPF-UHFFFAOYSA-N -1 1 413.459 1.277 20 0 HDADMM COCCOCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)c1 ZINC000675628386 1075243327 /nfs/dbraw/zinc/24/33/27/1075243327.db2.gz VOBYJNGFYZUWEW-UHFFFAOYSA-N -1 1 411.501 1.980 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)O[C@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000731448097 1075344704 /nfs/dbraw/zinc/34/47/04/1075344704.db2.gz WEMVHTLGGKUEDS-CYBMUJFWSA-N -1 1 423.429 1.511 20 0 HDADMM CON(C)C(=O)c1ccc(NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)cc1 ZINC000731436852 1075350742 /nfs/dbraw/zinc/35/07/42/1075350742.db2.gz NMNDISHHUASDFZ-UHFFFAOYSA-N -1 1 407.430 1.955 20 0 HDADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCCNc2ccn(C)n2)cc1 ZINC000552305906 1075361543 /nfs/dbraw/zinc/36/15/43/1075361543.db2.gz XLDJYQZPGVKCPT-UHFFFAOYSA-N -1 1 413.503 2.371 20 0 HDADMM NC(=O)c1cc(NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])n[nH]1 ZINC000676205027 1075426977 /nfs/dbraw/zinc/42/69/77/1075426977.db2.gz WIACWHLGXSIEMI-UHFFFAOYSA-N -1 1 401.329 1.997 20 0 HDADMM NC(=O)c1cc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)n[nH]1 ZINC000676207360 1075429621 /nfs/dbraw/zinc/42/96/21/1075429621.db2.gz YNQREMKPJHMBLV-UHFFFAOYSA-N -1 1 403.395 1.701 20 0 HDADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CCN1CCOC[C@@H]1C ZINC000509406694 1075519159 /nfs/dbraw/zinc/51/91/59/1075519159.db2.gz YCMNVONDFAENFV-JTQLQIEISA-N -1 1 411.307 1.779 20 0 HDADMM O=C(c1ccc(Cl)cc1)N1CCC[C@H](C(=O)N2CCO[C@H](c3nn[n-]n3)C2)C1 ZINC000731852669 1075534181 /nfs/dbraw/zinc/53/41/81/1075534181.db2.gz ALSGIHPYDOPRMY-ZFWWWQNUSA-N -1 1 404.858 1.305 20 0 HDADMM Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000731853321 1075535058 /nfs/dbraw/zinc/53/50/58/1075535058.db2.gz IXJLZQIKJNQIEM-AWEZNQCLSA-N -1 1 401.858 1.928 20 0 HDADMM O=C(c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000731880309 1075551161 /nfs/dbraw/zinc/55/11/61/1075551161.db2.gz JLDSZEKKFZYDLE-INIZCTEOSA-N -1 1 410.434 1.342 20 0 HDADMM COC[C@@H](O)CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000676534492 1075578292 /nfs/dbraw/zinc/57/82/92/1075578292.db2.gz SEGLXYFUGDLMJJ-ZDUSSCGKSA-N -1 1 400.403 1.503 20 0 HDADMM O=C(c1cccc(S(=O)(=O)Cc2ccccc2)c1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732088593 1075622188 /nfs/dbraw/zinc/62/21/88/1075622188.db2.gz CQGQLRDVODRRJS-QGZVFWFLSA-N -1 1 413.459 1.387 20 0 HDADMM CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732090019 1075623924 /nfs/dbraw/zinc/62/39/24/1075623924.db2.gz GBSGATSGACKHPP-VTZXFWRVSA-N -1 1 416.526 1.457 20 0 HDADMM O=C(OCc1ccccc1)N1CCC(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)CC1 ZINC000732090928 1075624453 /nfs/dbraw/zinc/62/44/53/1075624453.db2.gz QOAMDCGEIBUJSB-MRXNPFEDSA-N -1 1 400.439 1.148 20 0 HDADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCc3nccc(N)n3)cc2)cc1 ZINC000475449599 1075624990 /nfs/dbraw/zinc/62/49/90/1075624990.db2.gz UGEMDFYJUUTKFX-UHFFFAOYSA-N -1 1 413.459 1.798 20 0 HDADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCc3nnc(N)o3)c2)cc1 ZINC000473266583 1075625047 /nfs/dbraw/zinc/62/50/47/1075625047.db2.gz WNBBRRWFEDVSNV-UHFFFAOYSA-N -1 1 403.420 1.391 20 0 HDADMM O=C([C@@H]1CCCN(c2ncccc2C(F)(F)F)C1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732090968 1075625660 /nfs/dbraw/zinc/62/56/60/1075625660.db2.gz WUFLCLJTPPPIBJ-DGCLKSJQSA-N -1 1 411.388 1.430 20 0 HDADMM O=C(c1ccccc1OC(F)F)N1CCC[C@H]1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732091702 1075626240 /nfs/dbraw/zinc/62/62/40/1075626240.db2.gz NUIAIYJLKVOFIZ-JSGCOSHPSA-N -1 1 422.392 1.006 20 0 HDADMM O=C(c1ccccc1OCc1cn2ccccc2n1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732091534 1075626574 /nfs/dbraw/zinc/62/65/74/1075626574.db2.gz HNYAAMBQQQXBEA-KRWDZBQOSA-N -1 1 405.418 1.640 20 0 HDADMM O=C(c1nnn(-c2cccc(F)c2)c1C(F)(F)F)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732091572 1075626682 /nfs/dbraw/zinc/62/66/82/1075626682.db2.gz JFTBMIDPIPCCLF-SNVBAGLBSA-N -1 1 412.307 1.152 20 0 HDADMM O=C(Cn1c(COc2ccccc2)nc2ccccc21)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732091259 1075626972 /nfs/dbraw/zinc/62/69/72/1075626972.db2.gz WXDRIUQMLLEMHV-GOSISDBHSA-N -1 1 419.445 1.729 20 0 HDADMM O=C(OCc1ccccc1)N1CCCC[C@H]1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732091495 1075627146 /nfs/dbraw/zinc/62/71/46/1075627146.db2.gz GPRJPMSKJPOHHC-HOTGVXAUSA-N -1 1 400.439 1.291 20 0 HDADMM CCc1n[nH]c([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)c1-c1ccc2c(c1)OCO2 ZINC000543683361 1075653969 /nfs/dbraw/zinc/65/39/69/1075653969.db2.gz LGTQNHKRUDUJHG-UHFFFAOYSA-N -1 1 417.447 1.606 20 0 HDADMM O=c1cc(CN2CCN(Cc3nnnn3-c3ccccc3)CC2)c2ccc([O-])cc2o1 ZINC000732204580 1075676112 /nfs/dbraw/zinc/67/61/12/1075676112.db2.gz NYHVNNREQYQJBE-UHFFFAOYSA-N -1 1 418.457 1.792 20 0 HDADMM CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN(C(=O)c3cncc([O-])c3)C2)CC1 ZINC000732275537 1075686875 /nfs/dbraw/zinc/68/68/75/1075686875.db2.gz JZOFWEQWAQFTOC-OAHLLOKOSA-N -1 1 418.494 1.719 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000732305986 1075694314 /nfs/dbraw/zinc/69/43/14/1075694314.db2.gz UIBCVTSAHVBFNR-LBPRGKRZSA-N -1 1 407.268 1.084 20 0 HDADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NCCc3nnc(N)o3)c2)c1 ZINC000552187068 1075715727 /nfs/dbraw/zinc/71/57/27/1075715727.db2.gz BBMBMAWSSGCHFW-UHFFFAOYSA-N -1 1 401.448 1.734 20 0 HDADMM Nc1ncc2c(n1)CCN(C(=O)c1cccc([N-]S(=O)(=O)c3ccccc3)c1)C2 ZINC000558718145 1075732230 /nfs/dbraw/zinc/73/22/30/1075732230.db2.gz FFERZMTYIRRYIG-UHFFFAOYSA-N -1 1 409.471 2.058 20 0 HDADMM Nc1nnc(CCNC(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)o1 ZINC000576537354 1075739535 /nfs/dbraw/zinc/73/95/35/1075739535.db2.gz VSCQMJHWJFYTEY-UHFFFAOYSA-N -1 1 423.401 1.703 20 0 HDADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCc1nc(-c2cnc(C3CC3)nc2N)no1 ZINC000445595859 1075743454 /nfs/dbraw/zinc/74/34/54/1075743454.db2.gz DBKFGOXIKODZOO-UHFFFAOYSA-N -1 1 424.465 1.412 20 0 HDADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3nnc(N)o3)cc2)ccc1F ZINC000473275840 1075743907 /nfs/dbraw/zinc/74/39/07/1075743907.db2.gz KEECOERPEDHZCO-UHFFFAOYSA-N -1 1 405.411 1.830 20 0 HDADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCCc3nnc(N)o3)cc2)cc1 ZINC000552489951 1075756280 /nfs/dbraw/zinc/75/62/80/1075756280.db2.gz IHFXOSRPHQKIAU-UHFFFAOYSA-N -1 1 401.448 1.734 20 0 HDADMM C[C@@]1(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)CCS(=O)(=O)C1 ZINC000030031332 1075793285 /nfs/dbraw/zinc/79/32/85/1075793285.db2.gz NWZJFIXHFUZTHC-GOSISDBHSA-N -1 1 408.501 1.794 20 0 HDADMM CCCCNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(N)=O)cc2)c1 ZINC000016728309 1075793558 /nfs/dbraw/zinc/79/35/58/1075793558.db2.gz NEDGLVMNXUSXCY-UHFFFAOYSA-N -1 1 411.505 1.665 20 0 HDADMM CC(C)(C)NS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(N)=O)cc2)c1 ZINC000016728283 1075793568 /nfs/dbraw/zinc/79/35/68/1075793568.db2.gz IFMFTJRHLOPWSH-UHFFFAOYSA-N -1 1 411.505 1.663 20 0 HDADMM NC(=O)COc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])cc1 ZINC000017360646 1075822454 /nfs/dbraw/zinc/82/24/54/1075822454.db2.gz FFUQWFRROPYDKE-UHFFFAOYSA-N -1 1 419.459 1.293 20 0 HDADMM O=C(NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1nc2ccccc2c(=O)[n-]1 ZINC000732672518 1075827084 /nfs/dbraw/zinc/82/70/84/1075827084.db2.gz OQQJDDFMDJJBEP-UHFFFAOYSA-N -1 1 418.397 1.215 20 0 HDADMM O=C(NCCCCN1CCOCC1)c1ccccc1[N-]S(=O)(=O)C(F)(F)F ZINC000732753811 1075856621 /nfs/dbraw/zinc/85/66/21/1075856621.db2.gz WCJKFRIENHFIDY-UHFFFAOYSA-N -1 1 409.430 1.790 20 0 HDADMM Cn1cnc(CNC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)n1 ZINC000509294209 1075862518 /nfs/dbraw/zinc/86/25/18/1075862518.db2.gz MTIRSUXXDPYWIK-UHFFFAOYSA-N -1 1 403.439 1.614 20 0 HDADMM Cc1cc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)ccc1N1C(=O)CCC1=O ZINC000732951893 1075917931 /nfs/dbraw/zinc/91/79/31/1075917931.db2.gz SZJOGHDWOPMIGF-UHFFFAOYSA-N -1 1 423.472 1.097 20 0 HDADMM CCCC(=O)Nc1nc2ccc(NC(=O)CCn3cc[n-]c(=O)c3=O)cc2s1 ZINC000733135945 1075981694 /nfs/dbraw/zinc/98/16/94/1075981694.db2.gz NIZQWWOYEVFXLK-UHFFFAOYSA-N -1 1 401.448 1.914 20 0 HDADMM CC(C)(C)S(=O)(=O)CCNC(=O)c1cc(I)ccc1[O-] ZINC000733363692 1076053532 /nfs/dbraw/zinc/05/35/32/1076053532.db2.gz CXAJXRLXBOXCSD-UHFFFAOYSA-N -1 1 411.261 1.940 20 0 HDADMM COC(=O)C[C@H]([N-]S(=O)(=O)/C=C/c1ccccc1Br)C(=O)OC ZINC000727442934 1076122782 /nfs/dbraw/zinc/12/27/82/1076122782.db2.gz HKJHJWGHAAGUIV-GUOLPTJISA-N -1 1 406.254 1.444 20 0 HDADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)[C@H](NC(=O)c2ccccn2)C(C)C)cc1 ZINC000727555012 1076167725 /nfs/dbraw/zinc/16/77/25/1076167725.db2.gz VQALMVQOHVWAQT-GOSISDBHSA-N -1 1 413.430 1.344 20 0 HDADMM CCn1cc(S(=O)(=O)Nc2cccc([C@]3(C)NC(=O)NC3=O)c2)cc1C(=O)[O-] ZINC000532824288 1076239691 /nfs/dbraw/zinc/23/96/91/1076239691.db2.gz WNYXSSDTXAGVSD-KRWDZBQOSA-N -1 1 406.420 1.062 20 0 HDADMM COC(=O)c1ncn(CN(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)n1 ZINC000727825177 1076268420 /nfs/dbraw/zinc/26/84/20/1076268420.db2.gz LNVOQMHFXNJGKU-UHFFFAOYSA-N -1 1 415.475 1.955 20 0 HDADMM COc1cc(CCC2CCN(C(=O)CCn3cc[n-]c(=O)c3=O)CC2)cc(OC)c1 ZINC000727848072 1076270453 /nfs/dbraw/zinc/27/04/53/1076270453.db2.gz CSPGLBLEOZACQT-UHFFFAOYSA-N -1 1 415.490 1.815 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)NCc1cc(Br)ccc1OC(F)F ZINC000727853839 1076273059 /nfs/dbraw/zinc/27/30/59/1076273059.db2.gz PUEPCVPBBJTHAC-UHFFFAOYSA-N -1 1 418.194 1.607 20 0 HDADMM Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)CCn3cc[n-]c(=O)c3=O)C2)cc1 ZINC000727855299 1076273486 /nfs/dbraw/zinc/27/34/86/1076273486.db2.gz HSZVJHSHASDMNX-INIZCTEOSA-N -1 1 413.478 1.295 20 0 HDADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)NCC(=O)c1ccccc1 ZINC000728098533 1076330367 /nfs/dbraw/zinc/33/03/67/1076330367.db2.gz SXANBSQDDWFMBV-UHFFFAOYSA-N -1 1 404.444 1.604 20 0 HDADMM CN(CCS(C)(=O)=O)C(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000728081503 1076335230 /nfs/dbraw/zinc/33/52/30/1076335230.db2.gz FZMJKMDVHOHBEB-QGZVFWFLSA-N -1 1 404.488 1.653 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)Nc1ccc(OCc2cn3ccccc3n2)cc1 ZINC000730034637 1076413725 /nfs/dbraw/zinc/41/37/25/1076413725.db2.gz RACWIZGWCFFSPE-UHFFFAOYSA-N -1 1 405.414 1.792 20 0 HDADMM COC(=O)c1cccn2cc(COC(=O)c3sccc3[N-]S(C)(=O)=O)nc12 ZINC000730038827 1076414710 /nfs/dbraw/zinc/41/47/10/1076414710.db2.gz BWMTXMPEEIGGAO-UHFFFAOYSA-N -1 1 409.445 1.911 20 0 HDADMM COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)NN=c1nc(OC)cc[n-]1 ZINC000730203070 1076482457 /nfs/dbraw/zinc/48/24/57/1076482457.db2.gz HRLNNHKRZQIIDR-UHFFFAOYSA-N -1 1 406.342 1.596 20 0 HDADMM CCN(C(=O)COC(=O)c1ccc(Cl)c(Cl)c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000730360560 1076550846 /nfs/dbraw/zinc/55/08/46/1076550846.db2.gz WZARBTNXSCRTTM-SECBINFHSA-N -1 1 410.275 1.891 20 0 HDADMM CCN(CC)C(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(C(=O)OC)o1 ZINC000730811262 1076667039 /nfs/dbraw/zinc/66/70/39/1076667039.db2.gz JJRKQSRQCYWVJP-HNNXBMFYSA-N -1 1 408.476 1.824 20 0 HDADMM CC(C)N1C(=S)N=NC1CNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000731230701 1076760381 /nfs/dbraw/zinc/76/03/81/1076760381.db2.gz RSLAHCMYVHJUAH-UHFFFAOYSA-N -1 1 401.514 1.748 20 0 HDADMM CCC1CCC(NC(=O)c2nc(C)n(-c3nnc(C(F)(F)F)[nH]3)n2)(C(=O)[O-])CC1 ZINC000537402063 939267870 /nfs/dbraw/zinc/26/78/70/939267870.db2.gz CYWVYPLUKUMFPN-UHFFFAOYSA-N -1 1 415.376 1.866 20 0 HDADMM Cc1nc(C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000675980880 939865554 /nfs/dbraw/zinc/86/55/54/939865554.db2.gz CTUALKSDLDNWOC-HNNXBMFYSA-N -1 1 409.328 1.442 20 0 HDADMM CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)cc1 ZINC000015246123 1073540294 /nfs/dbraw/zinc/54/02/94/1073540294.db2.gz HLGJYAQBSVNANS-UHFFFAOYSA-N -1 1 423.516 1.695 20 0 HDADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1)[C@H]1COCCO1 ZINC000509108929 1073544649 /nfs/dbraw/zinc/54/46/49/1073544649.db2.gz CFZLMNHAJLFTME-GOSISDBHSA-N -1 1 420.443 1.613 20 0 HDADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)NCc1ncn(C)n1 ZINC000509126171 1073644813 /nfs/dbraw/zinc/64/48/13/1073644813.db2.gz TXFUXWMOIIJUQH-UHFFFAOYSA-N -1 1 414.491 1.958 20 0 HDADMM O=C(COC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1)N[N-]C(=O)c1cccs1 ZINC000140762370 1073796326 /nfs/dbraw/zinc/79/63/26/1073796326.db2.gz FYBRBMUZSGVSET-HNNXBMFYSA-N -1 1 415.471 1.286 20 0 HDADMM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NCc2c[nH]nn2)c1 ZINC000673951608 1073929443 /nfs/dbraw/zinc/92/94/43/1073929443.db2.gz OWWFFUIJWSPXLR-UHFFFAOYSA-N -1 1 401.448 1.853 20 0 HDADMM COCCOc1ccc(Br)cc1S(=O)(=O)[N-]CC(F)(F)CO ZINC000466577079 1074006920 /nfs/dbraw/zinc/00/69/20/1074006920.db2.gz JKZFSJIHMTZFPX-UHFFFAOYSA-N -1 1 404.229 1.380 20 0 HDADMM Cn1cc([N-]S(=O)(=O)c2ccsc2C(=O)NCc2ccc3cncn3c2)cn1 ZINC001626096867 1074096544 /nfs/dbraw/zinc/09/65/44/1074096544.db2.gz GTCAJOQXZAQMJN-UHFFFAOYSA-N -1 1 416.488 1.860 20 0 HDADMM CCn1nc2c(cc1=O)CN(C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)CC2 ZINC000674570578 1074446358 /nfs/dbraw/zinc/44/63/58/1074446358.db2.gz KQUCBSVTOZRZRQ-UHFFFAOYSA-N -1 1 421.479 1.234 20 0 HDADMM NC(=O)[C@@H]1CCCN(Cc2ccccc2[N-]S(=O)(=O)c2cccc3c2OCO3)C1 ZINC000509234093 1074509528 /nfs/dbraw/zinc/50/95/28/1074509528.db2.gz MGKKBRAOCIHPMG-OAHLLOKOSA-N -1 1 417.487 1.913 20 0 HDADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@H](O)C[C@H](O)C3)cc2)cc1C ZINC000674805635 1074571603 /nfs/dbraw/zinc/57/16/03/1074571603.db2.gz BVKABXMFUMQFSN-HDICACEKSA-N -1 1 404.488 1.672 20 0 HDADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@@H](CO)Oc3ccccc32)c(F)c1 ZINC000675283690 1074787864 /nfs/dbraw/zinc/78/78/64/1074787864.db2.gz KFUFLWVJKZUHHM-LBPRGKRZSA-N -1 1 416.452 1.146 20 0 HDADMM COCCn1ccc(NC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)n1 ZINC000575857753 1075209692 /nfs/dbraw/zinc/20/96/92/1075209692.db2.gz VUOYCOCXIGBNCW-UHFFFAOYSA-N -1 1 407.279 1.753 20 0 HDADMM CCc1ccc(C(=O)OCC(=O)[N-]C(=O)c2ccc(OC)cc2)cc1S(C)(=O)=O ZINC000766167320 1075256717 /nfs/dbraw/zinc/25/67/17/1075256717.db2.gz LZJMHLSIMSUBAG-UHFFFAOYSA-N -1 1 419.455 1.775 20 0 HDADMM C[C@@H](CCO)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000675720893 1075262540 /nfs/dbraw/zinc/26/25/40/1075262540.db2.gz QXQINMFGCYLHQU-ZDUSSCGKSA-N -1 1 406.460 1.759 20 0 HDADMM Cc1cc(OCC(=O)NC(N)=O)ccc1[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000509377039 1075322667 /nfs/dbraw/zinc/32/26/67/1075322667.db2.gz DYFMKGHIIAVBMR-UHFFFAOYSA-N -1 1 414.443 1.918 20 0 HDADMM CCCc1cc(C(=O)N2CCN(S(=O)(=O)c3c(C)oc(C)c3C(=O)[O-])CC2)n[nH]1 ZINC000676016739 1075324964 /nfs/dbraw/zinc/32/49/64/1075324964.db2.gz OLGBBOFGNJCUPL-UHFFFAOYSA-N -1 1 424.479 1.417 20 0 HDADMM CC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000731446996 1075343297 /nfs/dbraw/zinc/34/32/97/1075343297.db2.gz DSNHJBOOLFGEES-GOSISDBHSA-N -1 1 424.457 1.454 20 0 HDADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NCCNc3ccn(C)n3)c2)c1 ZINC000552078819 1075347279 /nfs/dbraw/zinc/34/72/79/1075347279.db2.gz HGCKRXZHIQGIBF-UHFFFAOYSA-N -1 1 413.503 2.371 20 0 HDADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3nc(C)n(C)n3)cc2)cc1 ZINC000552599042 1075372112 /nfs/dbraw/zinc/37/21/12/1075372112.db2.gz WIYCGLBEFARVQS-UHFFFAOYSA-N -1 1 415.475 2.575 20 0 HDADMM Cc1c(Br)cccc1S(=O)(=O)[N-]c1cccc(NC(=O)C(N)=O)c1 ZINC000509385923 1075391559 /nfs/dbraw/zinc/39/15/59/1075391559.db2.gz KLDDBRYXHWLBIJ-UHFFFAOYSA-N -1 1 412.265 1.982 20 0 HDADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(CC[NH+](C)C)CC(=O)[O-])cc2)cc1 ZINC000676206695 1075428228 /nfs/dbraw/zinc/42/82/28/1075428228.db2.gz YNCYWPVQBGMEEF-UHFFFAOYSA-N -1 1 419.503 1.884 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)OCC(=O)NCC(=O)c1cccs1 ZINC000731719734 1075492614 /nfs/dbraw/zinc/49/26/14/1075492614.db2.gz XHBIVBYDTJTWMW-UHFFFAOYSA-N -1 1 416.459 1.588 20 0 HDADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1nccn1Cc1ccccc1 ZINC000060558219 1075510637 /nfs/dbraw/zinc/51/06/37/1075510637.db2.gz YMRXVNRJXHBUAB-UHFFFAOYSA-N -1 1 400.442 2.566 20 0 HDADMM O=C(c1cnn(-c2ccc(Br)cc2)c1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000731855492 1075537183 /nfs/dbraw/zinc/53/71/83/1075537183.db2.gz PGSUTNYHFGYXJG-ZDUSSCGKSA-N -1 1 404.228 1.362 20 0 HDADMM Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000731855086 1075537933 /nfs/dbraw/zinc/53/79/33/1075537933.db2.gz COUNHCASTROOAG-MRXNPFEDSA-N -1 1 401.858 1.798 20 0 HDADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H](C)[C@@H](OC)C2)c(OC)c1 ZINC000466730575 1075551142 /nfs/dbraw/zinc/55/11/42/1075551142.db2.gz GLHVQHGVZGSCLF-CJNGLKHVSA-N -1 1 420.553 1.892 20 0 HDADMM CC(C)c1ccc(-n2cnnc2SCC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)cc1 ZINC000731880163 1075551633 /nfs/dbraw/zinc/55/16/33/1075551633.db2.gz HLZLCTYSSQUDNF-OAHLLOKOSA-N -1 1 414.495 1.596 20 0 HDADMM Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000731880043 1075551677 /nfs/dbraw/zinc/55/16/77/1075551677.db2.gz CFNGQPIYXWBZNE-HNNXBMFYSA-N -1 1 401.858 1.928 20 0 HDADMM CSc1ncc(Cl)c(C(=O)[N-]c2ncn(CC(=O)NCc3ccccc3)n2)n1 ZINC000548816650 1075561459 /nfs/dbraw/zinc/56/14/59/1075561459.db2.gz CELFTKREQIIQPP-UHFFFAOYSA-N -1 1 417.882 2.012 20 0 HDADMM Cc1c[nH][nH]c1=NC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000504482405 1075563856 /nfs/dbraw/zinc/56/38/56/1075563856.db2.gz QNZOCSGWKGWOPO-UHFFFAOYSA-N -1 1 414.443 1.964 20 0 HDADMM Cc1nn(C)c2ncc([N-]S(=O)(=O)c3ccc(OCc4ncnn4C)cc3)cc12 ZINC000676559257 1075589841 /nfs/dbraw/zinc/58/98/41/1075589841.db2.gz FERADYOHQVLAOR-UHFFFAOYSA-N -1 1 413.463 1.785 20 0 HDADMM O=C([C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732088416 1075622123 /nfs/dbraw/zinc/62/21/23/1075622123.db2.gz ARSYOESTLNKBHX-GWCFXTLKSA-N -1 1 411.249 1.460 20 0 HDADMM Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732088588 1075622137 /nfs/dbraw/zinc/62/21/37/1075622137.db2.gz CPEPOLBRRBULFB-CYBMUJFWSA-N -1 1 404.427 1.896 20 0 HDADMM CCCc1nc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)nn1-c1ccccc1Cl ZINC000732089313 1075623900 /nfs/dbraw/zinc/62/39/00/1075623900.db2.gz GICZFXLLYCSLDC-CYBMUJFWSA-N -1 1 402.846 1.600 20 0 HDADMM O=C(c1cccc(N2C(=O)c3ccccc3C2=O)c1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732089157 1075623936 /nfs/dbraw/zinc/62/39/36/1075623936.db2.gz JTOIGVKXHGLITB-INIZCTEOSA-N -1 1 404.386 1.214 20 0 HDADMM O=C(c1nc(C2CC2)n(-c2ccccc2Cl)n1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732090888 1075624319 /nfs/dbraw/zinc/62/43/19/1075624319.db2.gz PRZQWZQMQMKLQS-ZDUSSCGKSA-N -1 1 400.830 1.525 20 0 HDADMM O=C(c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732090380 1075624773 /nfs/dbraw/zinc/62/47/73/1075624773.db2.gz VPPJZTVMRGSEFG-LBPRGKRZSA-N -1 1 411.319 1.757 20 0 HDADMM O=C([C@H]1CCCN(c2ncccc2C(F)(F)F)C1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732090967 1075625753 /nfs/dbraw/zinc/62/57/53/1075625753.db2.gz WUFLCLJTPPPIBJ-AAEUAGOBSA-N -1 1 411.388 1.430 20 0 HDADMM O=C(CC1CCCCC1)NC1CCC(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)CC1 ZINC000732091574 1075626513 /nfs/dbraw/zinc/62/65/13/1075626513.db2.gz JJOJFXUYVDTHOE-OFLPRAFFSA-N -1 1 404.515 1.745 20 0 HDADMM Cc1sc(=O)n(CC(=O)N2CCO[C@H](c3nn[n-]n3)C2)c1-c1ccc(F)cc1 ZINC000732091122 1075627509 /nfs/dbraw/zinc/62/75/09/1075627509.db2.gz RZEQELOUMBPGLX-ZDUSSCGKSA-N -1 1 404.427 1.138 20 0 HDADMM CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)cc1 ZINC000732092409 1075627893 /nfs/dbraw/zinc/62/78/93/1075627893.db2.gz ZMKXHLBFWAYAFE-MRXNPFEDSA-N -1 1 422.511 1.224 20 0 HDADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3ccnc(N)n3)C2)o1 ZINC000509878794 1075632251 /nfs/dbraw/zinc/63/22/51/1075632251.db2.gz OSGBPTVPUSACPU-LBPRGKRZSA-N -1 1 407.496 1.748 20 0 HDADMM C[C@@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000676662149 1075643685 /nfs/dbraw/zinc/64/36/85/1075643685.db2.gz DLBVOOFPBJNLAB-ZFWWWQNUSA-N -1 1 401.467 1.377 20 0 HDADMM O=C(NCCN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O)c1cncc([O-])c1 ZINC000732258338 1075689404 /nfs/dbraw/zinc/68/94/04/1075689404.db2.gz KIYDGORCTHXQJY-SOFYXZRVSA-N -1 1 413.411 1.982 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000732293570 1075701567 /nfs/dbraw/zinc/70/15/67/1075701567.db2.gz NAFMZKJENVQSCY-OAHLLOKOSA-N -1 1 408.861 1.500 20 0 HDADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCc3nnc(N)o3)c2)cc1F ZINC000552442906 1075708771 /nfs/dbraw/zinc/70/87/71/1075708771.db2.gz XWHHCRIUCZASBO-UHFFFAOYSA-N -1 1 405.411 1.830 20 0 HDADMM Cc1onc(N)c1S(=O)(=O)[N-]C[C@@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000563916052 1075727975 /nfs/dbraw/zinc/72/79/75/1075727975.db2.gz QMEOAJQOAALDPT-AWEZNQCLSA-N -1 1 400.888 1.570 20 0 HDADMM Cc1onc(N)c1S(=O)(=O)[N-]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000565449210 1075728329 /nfs/dbraw/zinc/72/83/29/1075728329.db2.gz FZKAPVKCNBKOLQ-NSHDSACASA-N -1 1 415.313 2.133 20 0 HDADMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000554896037 1075731085 /nfs/dbraw/zinc/73/10/85/1075731085.db2.gz SMTMXTVBVAHYLU-LLVKDONJSA-N -1 1 405.263 1.956 20 0 HDADMM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ccc(N2CCN(C)CC2)cc1C ZINC000732525540 1075780541 /nfs/dbraw/zinc/78/05/41/1075780541.db2.gz NQAHTMNKTKZLLH-UHFFFAOYSA-N -1 1 407.496 1.366 20 0 HDADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2c(C)nn(C)c2C)C(F)(F)F)cn1 ZINC000543691453 1075783094 /nfs/dbraw/zinc/78/30/94/1075783094.db2.gz WOKDSYQWUPAHNW-CYBMUJFWSA-N -1 1 406.386 1.800 20 0 HDADMM C[C@]1(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)CCS(=O)(=O)C1 ZINC000030031333 1075793600 /nfs/dbraw/zinc/79/36/00/1075793600.db2.gz NWZJFIXHFUZTHC-SFHVURJKSA-N -1 1 408.501 1.794 20 0 HDADMM CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)[N-]c3cc(C(N)=O)sc3C)ccc2O1 ZINC000611027986 1075814080 /nfs/dbraw/zinc/81/40/80/1075814080.db2.gz GNNNYGJQUWCRAS-CQSZACIVSA-N -1 1 410.473 1.823 20 0 HDADMM Cc1c(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)cnn1CCO[C@@H]1CCCCO1 ZINC000509294367 1075863068 /nfs/dbraw/zinc/86/30/68/1075863068.db2.gz OULHSZLQVPXFDI-MRXNPFEDSA-N -1 1 405.455 1.843 20 0 HDADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H]3CCS(=O)(=O)C3)cc2)cc1 ZINC000017637676 1075894677 /nfs/dbraw/zinc/89/46/77/1075894677.db2.gz QYNOTCFIFYZQPN-HNNXBMFYSA-N -1 1 424.500 1.413 20 0 HDADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NC1CCN(C(=O)OC(C)C)CC1 ZINC000732976565 1075934473 /nfs/dbraw/zinc/93/44/73/1075934473.db2.gz ZESSAZWALUWVFT-UHFFFAOYSA-N -1 1 413.478 1.808 20 0 HDADMM COc1ccc(NC(=O)OC(C)(C)C)c(NC(=O)CCn2cc[n-]c(=O)c2=O)c1 ZINC000733145612 1075973164 /nfs/dbraw/zinc/97/31/64/1075973164.db2.gz DFFGCDKRAXGCSE-UHFFFAOYSA-N -1 1 404.423 1.921 20 0 HDADMM Cn1cnc(S(=O)(=O)[N-]CCN2CCN(C(=O)C3CCCCC3)CC2)c1Cl ZINC000733318054 1076039017 /nfs/dbraw/zinc/03/90/17/1076039017.db2.gz XODCZIKUDWPAFE-UHFFFAOYSA-N -1 1 417.963 1.076 20 0 HDADMM Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000733360455 1076052687 /nfs/dbraw/zinc/05/26/87/1076052687.db2.gz WURANMUXBJDQBC-UHFFFAOYSA-N -1 1 412.834 1.806 20 0 HDADMM Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000733360455 1076052694 /nfs/dbraw/zinc/05/26/94/1076052694.db2.gz WURANMUXBJDQBC-UHFFFAOYSA-N -1 1 412.834 1.806 20 0 HDADMM COC(=O)C[C@H]([N-]S(=O)(=O)/C=C\c1ccccc1Br)C(=O)OC ZINC000727442935 1076122877 /nfs/dbraw/zinc/12/28/77/1076122877.db2.gz HKJHJWGHAAGUIV-KRZKBDHCSA-N -1 1 406.254 1.444 20 0 HDADMM Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000733884339 1076239557 /nfs/dbraw/zinc/23/95/57/1076239557.db2.gz WGISREIBBMDKSU-UHFFFAOYSA-N -1 1 410.459 1.517 20 0 HDADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C(C)C)o1 ZINC000733886170 1076242357 /nfs/dbraw/zinc/24/23/57/1076242357.db2.gz OFXHGFNXTLRGLH-QGZVFWFLSA-N -1 1 403.501 1.857 20 0 HDADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)c1 ZINC000535648737 1076252945 /nfs/dbraw/zinc/25/29/45/1076252945.db2.gz NLLPJKIZXMESLB-QZTJIDSGSA-N -1 1 417.531 1.732 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000727849318 1076270902 /nfs/dbraw/zinc/27/09/02/1076270902.db2.gz DUILTMFNXPEBQZ-MYJAWHEDSA-N -1 1 401.307 1.952 20 0 HDADMM COc1cc(CNC(=O)CCn2cc[n-]c(=O)c2=O)ccc1OCC(F)(F)F ZINC000727849916 1076271049 /nfs/dbraw/zinc/27/10/49/1076271049.db2.gz NVUPMKDBCJBXHG-UHFFFAOYSA-N -1 1 401.341 1.193 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1 ZINC000727853273 1076272474 /nfs/dbraw/zinc/27/24/74/1076272474.db2.gz HQGHGCLIXAIHBE-UHFFFAOYSA-N -1 1 404.426 1.768 20 0 HDADMM CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)CC1 ZINC000727853058 1076272758 /nfs/dbraw/zinc/27/27/58/1076272758.db2.gz LTZOISAVWPPLKC-INIZCTEOSA-N -1 1 420.510 1.565 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O ZINC000733984070 1076283674 /nfs/dbraw/zinc/28/36/74/1076283674.db2.gz YTHZUDZCNIXBJJ-NRFANRHFSA-N -1 1 422.445 1.135 20 0 HDADMM NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000728015693 1076304307 /nfs/dbraw/zinc/30/43/07/1076304307.db2.gz ALNIGCSLAFJPGS-UHFFFAOYSA-N -1 1 415.468 1.111 20 0 HDADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)CCS(C)(=O)=O)c2)cc1 ZINC000728028401 1076311114 /nfs/dbraw/zinc/31/11/14/1076311114.db2.gz IAXBKSJENMTICX-UHFFFAOYSA-N -1 1 410.517 1.912 20 0 HDADMM CON(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)cc1 ZINC000729964864 1076399284 /nfs/dbraw/zinc/39/92/84/1076399284.db2.gz OXZGACGUXFEVQF-GFCCVEGCSA-N -1 1 412.489 1.993 20 0 HDADMM O=C(CCn1c(=O)c2ccccc2[n-]c1=S)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000730087676 1076441460 /nfs/dbraw/zinc/44/14/60/1076441460.db2.gz XEBXJJWOXOBRLS-IAGOWNOFSA-N -1 1 402.520 1.133 20 0 HDADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCC[S@@](C)=O)cc2)cc1 ZINC000730093257 1076448585 /nfs/dbraw/zinc/44/85/85/1076448585.db2.gz KGLCTWIANOYBAX-AREMUKBSSA-N -1 1 410.517 1.994 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000730287022 1076514268 /nfs/dbraw/zinc/51/42/68/1076514268.db2.gz MSBPISBBYKDUCO-CQSZACIVSA-N -1 1 416.236 1.973 20 0 HDADMM C[C@H](OC(=O)c1ccc(Cl)c(Cl)c1[O-])C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000730361180 1076550676 /nfs/dbraw/zinc/55/06/76/1076550676.db2.gz YRNJGTFOGFQXFK-IUCAKERBSA-N -1 1 410.275 1.890 20 0 HDADMM CCCCCCOCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000730829664 1076663722 /nfs/dbraw/zinc/66/37/22/1076663722.db2.gz IAXDZDWKCAAONS-UHFFFAOYSA-N -1 1 400.497 1.949 20 0 HDADMM CCCCNc1ccc(S(=O)(=O)N(C)C)cc1[N-]S(=O)(=O)C[C@@H](C)OC ZINC000509097720 1073520620 /nfs/dbraw/zinc/52/06/20/1073520620.db2.gz JMDWUPVSVDFRNF-CYBMUJFWSA-N -1 1 407.558 1.926 20 0 HDADMM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3cccc(S(N)(=O)=O)c3)ccc21 ZINC000015243193 1073532180 /nfs/dbraw/zinc/53/21/80/1073532180.db2.gz BYHPQKATXZYKSF-UHFFFAOYSA-N -1 1 409.489 1.434 20 0 HDADMM CNC(=O)Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)OC)cc(C(=O)OC)c2)cc1 ZINC000028259414 1073613741 /nfs/dbraw/zinc/61/37/41/1073613741.db2.gz OYJMFZSFWPGCPU-UHFFFAOYSA-N -1 1 420.443 1.349 20 0 HDADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)CCOCC(F)(F)C(F)F)CC2)n1 ZINC000509178384 1073946731 /nfs/dbraw/zinc/94/67/31/1073946731.db2.gz MEFHGICRVKFGNI-UHFFFAOYSA-N -1 1 410.368 1.995 20 0 HDADMM COc1cccc(-c2nc(=NC(=O)C(=O)N3CCCN(C(C)C)CC3)s[n-]2)c1 ZINC000543520716 1073990269 /nfs/dbraw/zinc/99/02/69/1073990269.db2.gz FMYBYYKVJCHFSB-UHFFFAOYSA-N -1 1 403.508 1.517 20 0 HDADMM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnnn3C)c2)cc1NC(C)=O ZINC000014728520 1074015872 /nfs/dbraw/zinc/01/58/72/1074015872.db2.gz LWLFFKANLPBFBU-UHFFFAOYSA-N -1 1 402.436 1.645 20 0 HDADMM O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])c1ccnc(O[C@H]2CCOC2)c1 ZINC000543563254 1074110760 /nfs/dbraw/zinc/11/07/60/1074110760.db2.gz HVIKHBAZDHKJRR-AWEZNQCLSA-N -1 1 419.459 1.648 20 0 HDADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)C[C@@H]3CCCS(=O)(=O)C3)c2)n1 ZINC000509225236 1074332944 /nfs/dbraw/zinc/33/29/44/1074332944.db2.gz KOJCFUKOGVJCQQ-AWEZNQCLSA-N -1 1 420.491 1.480 20 0 HDADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3C[C@H](O)C[C@H](O)C3)c2)cc1 ZINC000674804438 1074571155 /nfs/dbraw/zinc/57/11/55/1074571155.db2.gz OKRLCUMBYVBTQQ-IYBDPMFKSA-N -1 1 406.460 1.064 20 0 HDADMM O=C(c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)N1C[C@H](O)C[C@H](O)C1 ZINC000674804092 1074571578 /nfs/dbraw/zinc/57/15/78/1074571578.db2.gz IREPNKMEYNMWEV-IYBDPMFKSA-N -1 1 410.879 1.709 20 0 HDADMM C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCC([C@@H]2OCC[C@H]2[N-]C(=O)C(F)(F)F)CC1 ZINC001128871501 1074612083 /nfs/dbraw/zinc/61/20/83/1074612083.db2.gz OVZMZAZCWQYEOG-HNKHHVNMSA-N -1 1 422.444 1.645 20 0 HDADMM CC(C)n1cc(S(=O)(=O)[N-]c2ccccc2CN2CCC[C@H](C(N)=O)C2)cn1 ZINC000509238639 1074698239 /nfs/dbraw/zinc/69/82/39/1074698239.db2.gz XFWRQWBGTSMMFX-INIZCTEOSA-N -1 1 405.524 1.962 20 0 HDADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCN3CCOC[C@@H]3C2)cc1 ZINC000543613040 1074707891 /nfs/dbraw/zinc/70/78/91/1074707891.db2.gz PCRRITZKYWPBPC-SFHVURJKSA-N -1 1 415.515 1.952 20 0 HDADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCN4CCOC[C@@H]4C3)c2)cc1 ZINC000543613022 1074711069 /nfs/dbraw/zinc/71/10/69/1074711069.db2.gz MXRFXFOKWWKVJA-IBGZPJMESA-N -1 1 415.515 1.952 20 0 HDADMM CCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O)c1nn[n-]n1 ZINC000675143965 1074743265 /nfs/dbraw/zinc/74/32/65/1074743265.db2.gz HFGSNBQHRQPWOJ-INIZCTEOSA-N -1 1 405.418 1.662 20 0 HDADMM COC(=O)[C@@H]1CC[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[N-]C(=O)C(F)(F)F)CC2)C1 ZINC001128974559 1074776029 /nfs/dbraw/zinc/77/60/29/1074776029.db2.gz JOCBRKDLQVTRGT-YJNKXOJESA-N -1 1 420.428 1.650 20 0 HDADMM COc1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2nc(C)no2)cc1[N-]S(C)(=O)=O ZINC000509322423 1075094315 /nfs/dbraw/zinc/09/43/15/1075094315.db2.gz XNCDJDSOIXPPGX-CYBMUJFWSA-N -1 1 423.451 1.060 20 0 HDADMM Cc1cc(NC(=O)CSCC(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)no1 ZINC000538048381 1075135861 /nfs/dbraw/zinc/13/58/61/1075135861.db2.gz IOWKECYPGVSMGW-UHFFFAOYSA-N -1 1 416.456 1.804 20 0 HDADMM CCOC(=O)[C@H](Cc1ccccn1)NC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000429255602 1075176748 /nfs/dbraw/zinc/17/67/48/1075176748.db2.gz HYHICELIGMPKGU-HNNXBMFYSA-N -1 1 404.492 1.831 20 0 HDADMM CO[C@H]1C[C@H](N(C)C(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)C12CCC2 ZINC001129036386 1075248555 /nfs/dbraw/zinc/24/85/55/1075248555.db2.gz XASWBSKZOOBOFN-IRXDYDNUSA-N -1 1 404.511 1.676 20 0 HDADMM O=C1CCC(=O)N1CCNc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1 ZINC000433787616 1075268193 /nfs/dbraw/zinc/26/81/93/1075268193.db2.gz WLHUGEHDBACNOG-UHFFFAOYSA-N -1 1 410.402 1.722 20 0 HDADMM CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)Nc2nc(CC(=O)[O-])cs2)c1 ZINC000675945678 1075303896 /nfs/dbraw/zinc/30/38/96/1075303896.db2.gz ZZUISOXNUBGKCT-UHFFFAOYSA-N -1 1 412.449 1.352 20 0 HDADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)Nc3ncn(Cc4ccccc4)n3)CC2)n1 ZINC000584523157 1075335993 /nfs/dbraw/zinc/33/59/93/1075335993.db2.gz AUACKBQJTMHCDM-UHFFFAOYSA-N -1 1 424.465 2.033 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000731447020 1075343274 /nfs/dbraw/zinc/34/32/74/1075343274.db2.gz DYQFHEKFDILNED-OAHLLOKOSA-N -1 1 410.430 1.257 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCC(=O)NCCO[C@H]1CCCC[C@@H]1C ZINC000731448295 1075344519 /nfs/dbraw/zinc/34/45/19/1075344519.db2.gz ICHNYXZULFIIBN-GUYCJALGSA-N -1 1 418.494 1.849 20 0 HDADMM COc1ccccc1CCNC(=O)COC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000731447968 1075344745 /nfs/dbraw/zinc/34/47/45/1075344745.db2.gz RSQRZNBAEMBENP-UHFFFAOYSA-N -1 1 412.446 1.505 20 0 HDADMM CN1C(=S)N=NC1CCNC(=O)c1cc(I)ccc1[O-] ZINC000731447643 1075345885 /nfs/dbraw/zinc/34/58/85/1075345885.db2.gz ZWKQISPFFRLLIE-UHFFFAOYSA-N -1 1 404.233 1.387 20 0 HDADMM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1cn(C)cc(Br)c1=O ZINC000543660229 1075407470 /nfs/dbraw/zinc/40/74/70/1075407470.db2.gz KZRNTEXMXSTUBD-UHFFFAOYSA-N -1 1 419.228 1.874 20 0 HDADMM O=C1COc2ccc([N-]S(=O)(=O)c3cccc(S(=O)(=O)NC4CC4)c3)cc2N1 ZINC000026227304 1075436927 /nfs/dbraw/zinc/43/69/27/1075436927.db2.gz AZYCPYHRMKWVRR-UHFFFAOYSA-N -1 1 423.472 1.259 20 0 HDADMM CCNS(=O)(=O)CCNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000731643058 1075444150 /nfs/dbraw/zinc/44/41/50/1075444150.db2.gz PDPJVHLWLLBHFS-UHFFFAOYSA-N -1 1 411.505 1.157 20 0 HDADMM C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000676337895 1075512459 /nfs/dbraw/zinc/51/24/59/1075512459.db2.gz GUWILMWZJWNGCC-WBMJQRKESA-N -1 1 403.439 1.654 20 0 HDADMM Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)cc1 ZINC000676338819 1075512759 /nfs/dbraw/zinc/51/27/59/1075512759.db2.gz VCUFLOWOERVVTL-XJKSGUPXSA-N -1 1 400.464 1.081 20 0 HDADMM Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)cc1 ZINC000676338818 1075512832 /nfs/dbraw/zinc/51/28/32/1075512832.db2.gz VCUFLOWOERVVTL-BBRMVZONSA-N -1 1 400.464 1.081 20 0 HDADMM CN1CCN(c2ccccc2[N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)CC1 ZINC000731781748 1075523488 /nfs/dbraw/zinc/52/34/88/1075523488.db2.gz ZRDBVYFAUHNKQG-UHFFFAOYSA-N -1 1 409.533 1.643 20 0 HDADMM Cc1nc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)nn1C ZINC000566991838 1075523789 /nfs/dbraw/zinc/52/37/89/1075523789.db2.gz ZYYJFMBBFCUTFE-UHFFFAOYSA-N -1 1 407.402 2.455 20 0 HDADMM Cn1cc(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)c(Cl)c2)cc1C(N)=O ZINC000731784396 1075524228 /nfs/dbraw/zinc/52/42/28/1075524228.db2.gz XPKJUJFPQFVKIY-UHFFFAOYSA-N -1 1 411.915 1.330 20 0 HDADMM COc1ccc(-c2nc(C)c(C(=O)N3CCO[C@@H](c4nn[n-]n4)C3)s2)cc1OC ZINC000731854726 1075536376 /nfs/dbraw/zinc/53/63/76/1075536376.db2.gz BNUBCQBIAIQYNM-CQSZACIVSA-N -1 1 416.463 1.863 20 0 HDADMM CCOc1c(Br)cc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)cc1OC ZINC000731855584 1075536572 /nfs/dbraw/zinc/53/65/72/1075536572.db2.gz UQDWJBHSGFYGMZ-LBPRGKRZSA-N -1 1 412.244 1.583 20 0 HDADMM Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3CCO[C@H](c4nn[n-]n4)C3)c12 ZINC000731880334 1075551327 /nfs/dbraw/zinc/55/13/27/1075551327.db2.gz KJQNDCNBOTZIED-ZDUSSCGKSA-N -1 1 410.463 1.732 20 0 HDADMM O=C(c1ccccc1)N1[C@H](C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)C[C@@H]2CCCC[C@@H]21 ZINC000731879965 1075551600 /nfs/dbraw/zinc/55/16/00/1075551600.db2.gz CKTWYHRHXFVHHI-XLAORIBOSA-N -1 1 410.478 1.573 20 0 HDADMM Cc1ccc(-n2cnnc2SCC(=O)N2CCO[C@H](c3nn[n-]n3)C2)cc1Cl ZINC000731879944 1075552008 /nfs/dbraw/zinc/55/20/08/1075552008.db2.gz BRGUWEMLYGPFTR-ZDUSSCGKSA-N -1 1 420.886 1.434 20 0 HDADMM CCn1c(SCC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)nnc1-c1ccccc1C ZINC000731879939 1075552016 /nfs/dbraw/zinc/55/20/16/1075552016.db2.gz BKMBQRWQHPJAFC-CQSZACIVSA-N -1 1 414.495 1.479 20 0 HDADMM Cc1cccc(C[C@H](CO)NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)c1 ZINC000466732460 1075577613 /nfs/dbraw/zinc/57/76/13/1075577613.db2.gz DOPDYHPAPJGJTD-OAHLLOKOSA-N -1 1 416.496 1.388 20 0 HDADMM C=CC(=O)NCCNC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000732100822 1075612480 /nfs/dbraw/zinc/61/24/80/1075612480.db2.gz VNHGBXUWAOFVDC-UHFFFAOYSA-N -1 1 405.451 1.587 20 0 HDADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NCC[S@](=O)Cc1ccccc1 ZINC000732101204 1075613348 /nfs/dbraw/zinc/61/33/48/1075613348.db2.gz YIARTEHADJXZSL-LJAQVGFWSA-N -1 1 410.499 1.748 20 0 HDADMM CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732088441 1075622241 /nfs/dbraw/zinc/62/22/41/1075622241.db2.gz BPPMPUGODXMPLN-ICSRJNTNSA-N -1 1 422.489 1.636 20 0 HDADMM COc1cc(NC(=O)C(C)(C)C)c(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)cc1OC ZINC000732089713 1075622917 /nfs/dbraw/zinc/62/29/17/1075622917.db2.gz BWDLWZTZJGIKAX-OAHLLOKOSA-N -1 1 418.454 1.415 20 0 HDADMM COc1cccc(-n2ccnc2SCC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)c1 ZINC000732089757 1075623161 /nfs/dbraw/zinc/62/31/61/1075623161.db2.gz DENUWRJLRNQAAS-CQSZACIVSA-N -1 1 401.452 1.086 20 0 HDADMM O=C(c1csc(-c2cnn(-c3ccccc3)c2)n1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732090916 1075624291 /nfs/dbraw/zinc/62/42/91/1075624291.db2.gz QFVUGGOTZCPYLD-OAHLLOKOSA-N -1 1 408.447 1.723 20 0 HDADMM O=C(c1cc(F)ccc1I)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732090865 1075624382 /nfs/dbraw/zinc/62/43/82/1075624382.db2.gz OTHVGTBYTGIYCI-JTQLQIEISA-N -1 1 403.155 1.157 20 0 HDADMM O=C(c1ccc(I)cc1Cl)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732090618 1075624826 /nfs/dbraw/zinc/62/48/26/1075624826.db2.gz YMLMLONYKPLAJN-SNVBAGLBSA-N -1 1 419.610 1.671 20 0 HDADMM O=C(c1ccn(-c2cccc(Br)c2)n1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732091801 1075626116 /nfs/dbraw/zinc/62/61/16/1075626116.db2.gz QWFZVCULEBQTIU-ZDUSSCGKSA-N -1 1 404.228 1.362 20 0 HDADMM COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)cc1OC ZINC000732091517 1075626568 /nfs/dbraw/zinc/62/65/68/1075626568.db2.gz HCTLWELSFJIUBM-UVWXRNBGSA-N -1 1 416.438 1.025 20 0 HDADMM O=C(c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732091596 1075626663 /nfs/dbraw/zinc/62/66/63/1075626663.db2.gz KDHYVZDGVZTZIQ-QZTJIDSGSA-N -1 1 405.414 1.868 20 0 HDADMM CC(=O)Nc1cc(S(=O)(=O)N2C[C@H](NC(C)=O)Cc3ccccc32)ccc1[O-] ZINC000676635275 1075626858 /nfs/dbraw/zinc/62/68/58/1075626858.db2.gz ACUCCAVJHWHBOH-OAHLLOKOSA-N -1 1 403.460 1.607 20 0 HDADMM CC(C)c1nc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)nn1-c1ccccc1Cl ZINC000732091481 1075627160 /nfs/dbraw/zinc/62/71/60/1075627160.db2.gz FZWUEXXFEQEYHF-ZDUSSCGKSA-N -1 1 402.846 1.771 20 0 HDADMM Cc1sc(=O)n(CC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)c1-c1ccc(F)cc1 ZINC000732091121 1075627534 /nfs/dbraw/zinc/62/75/34/1075627534.db2.gz RZEQELOUMBPGLX-CYBMUJFWSA-N -1 1 404.427 1.138 20 0 HDADMM O=C(Nc1cccc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)c1)c1ccc2[nH]cnc2c1 ZINC000732091149 1075627624 /nfs/dbraw/zinc/62/76/24/1075627624.db2.gz SUHFWFVXMKCLJY-KRWDZBQOSA-N -1 1 418.417 1.542 20 0 HDADMM C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000676662148 1075643557 /nfs/dbraw/zinc/64/35/57/1075643557.db2.gz DLBVOOFPBJNLAB-UKRRQHHQSA-N -1 1 401.467 1.377 20 0 HDADMM O=C(CCNC(=O)N1CCc2ccccc2C1)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000732276984 1075686844 /nfs/dbraw/zinc/68/68/44/1075686844.db2.gz ZGJKPFUUQLMURS-IBGZPJMESA-N -1 1 405.462 1.563 20 0 HDADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCc3nnc(N)o3)c2)cc1F ZINC000530490441 1075708865 /nfs/dbraw/zinc/70/88/65/1075708865.db2.gz UIFPKYAIJPODTC-UHFFFAOYSA-N -1 1 419.438 1.873 20 0 HDADMM Cn1cc(CN2C[C@@H](F)C[C@H]2C[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cn1 ZINC000509256498 1075721629 /nfs/dbraw/zinc/72/16/29/1075721629.db2.gz SVJWJYZHOBHBDP-RYUDHWBXSA-N -1 1 406.405 1.728 20 0 HDADMM Cc1onc(N)c1S(=O)(=O)[N-]C1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000564333900 1075726039 /nfs/dbraw/zinc/72/60/39/1075726039.db2.gz NUYDUMASJHIICN-UHFFFAOYSA-N -1 1 417.491 2.163 20 0 HDADMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000568567169 1075730825 /nfs/dbraw/zinc/73/08/25/1075730825.db2.gz JSFIEMJAJOQRIU-LLVKDONJSA-N -1 1 418.397 1.663 20 0 HDADMM CCOC(=O)[C@H]([N-]S(=O)(=O)N1CCC1)c1c(C)nn(-c2ccc(F)cc2)c1C ZINC000509446049 1075744437 /nfs/dbraw/zinc/74/44/37/1075744437.db2.gz DNFJGVSQRIMJAK-QGZVFWFLSA-N -1 1 410.471 1.773 20 0 HDADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NCc3nnc(N)o3)c2)c1 ZINC000473251577 1075750053 /nfs/dbraw/zinc/75/00/53/1075750053.db2.gz AAMBLKZASSJRDB-UHFFFAOYSA-N -1 1 401.448 1.999 20 0 HDADMM Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)C(C)C)cc1 ZINC000509266558 1075762330 /nfs/dbraw/zinc/76/23/30/1075762330.db2.gz YXPSRKMEWRACFC-INIZCTEOSA-N -1 1 422.507 1.793 20 0 HDADMM COC(=O)c1c(C)[n-]nc1S(=O)(=O)[N-]c1ccccc1OCCn1cc[nH+]c1 ZINC000732525905 1075780601 /nfs/dbraw/zinc/78/06/01/1075780601.db2.gz RPIFXGZEGYYJGN-UHFFFAOYSA-N -1 1 405.436 1.581 20 0 HDADMM CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccccc3-n3cncn3)ccc2O1 ZINC000611027970 1075813859 /nfs/dbraw/zinc/81/38/59/1075813859.db2.gz ZUQHESXYJPUWMI-GOSISDBHSA-N -1 1 414.443 1.935 20 0 HDADMM CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc4c(c3)C(=O)NCC4)ccc2O1 ZINC000611028013 1075814114 /nfs/dbraw/zinc/81/41/14/1075814114.db2.gz SSYAFWPKNQSXGB-GOSISDBHSA-N -1 1 416.455 1.640 20 0 HDADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1cccc(OCC(F)F)n1 ZINC000554022985 1075823626 /nfs/dbraw/zinc/82/36/26/1075823626.db2.gz BXJOZAAGXABDCH-UHFFFAOYSA-N -1 1 401.373 2.360 20 0 HDADMM CCc1cc(CNC(=O)c2ccc3c(c2)[n-]c(=S)n(CCCOC)c3=O)n[nH]1 ZINC000732790523 1075858170 /nfs/dbraw/zinc/85/81/70/1075858170.db2.gz LYJFAARTGXWNHG-UHFFFAOYSA-N -1 1 401.492 1.937 20 0 HDADMM CSCC[C@@H](C(=O)N1CCC[C@H](c2nn[n-]n2)C1)N1C(=O)c2ccccc2C1=O ZINC000611215197 1075878029 /nfs/dbraw/zinc/87/80/29/1075878029.db2.gz XGEOWEDKRCRWNU-WFASDCNBSA-N -1 1 414.491 1.324 20 0 HDADMM CCOC(=O)[C@@H](CO)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000611288422 1075893247 /nfs/dbraw/zinc/89/32/47/1075893247.db2.gz PLAGVHIBWSITHV-GOSISDBHSA-N -1 1 420.487 1.758 20 0 HDADMM CCOC(=O)[C@@H](CO)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000611288509 1075893968 /nfs/dbraw/zinc/89/39/68/1075893968.db2.gz VYXCLIYOVPUTOJ-QGZVFWFLSA-N -1 1 422.459 1.150 20 0 HDADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H]3CCS(=O)(=O)C3)c2)cc1 ZINC000017637577 1075894528 /nfs/dbraw/zinc/89/45/28/1075894528.db2.gz NDMPZWTZWGVGNE-INIZCTEOSA-N -1 1 408.501 1.713 20 0 HDADMM COC(=O)Cc1c(C(=O)OC)sc2[n-]c(CN3CC[C@H](C)[C@@H](F)C3)nc(=O)c12 ZINC000611501712 1075949863 /nfs/dbraw/zinc/94/98/63/1075949863.db2.gz HJVFBQFCIYWIOJ-ONGXEEELSA-N -1 1 411.455 1.667 20 0 HDADMM CN(Cc1ccccc1NC(=O)CCn1cc[n-]c(=O)c1=O)C(=O)OC(C)(C)C ZINC000733141678 1075973762 /nfs/dbraw/zinc/97/37/62/1075973762.db2.gz FSEOIXAKSKGUPG-UHFFFAOYSA-N -1 1 402.451 1.932 20 0 HDADMM COc1ccc(NC(=O)c2ccc(NC(=O)CCn3cc[n-]c(=O)c3=O)cc2)cc1 ZINC000733123202 1075978501 /nfs/dbraw/zinc/97/85/01/1075978501.db2.gz AHBZAZFZSPYSIY-UHFFFAOYSA-N -1 1 408.414 1.826 20 0 HDADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C2)o1 ZINC000733183001 1076010689 /nfs/dbraw/zinc/01/06/89/1076010689.db2.gz DYYGTWXUTSVJSI-VXGBXAGGSA-N -1 1 401.485 1.658 20 0 HDADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)C[C@@H](C)NC(=O)C2CCCCC2)cc1 ZINC000727533336 1076170192 /nfs/dbraw/zinc/17/01/92/1076170192.db2.gz DQIPEOPYRLESDI-CQSZACIVSA-N -1 1 404.463 1.970 20 0 HDADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)N1CC(n2cncn2)C1 ZINC000727761697 1076217747 /nfs/dbraw/zinc/21/77/47/1076217747.db2.gz ATZNLNOWYIURGS-UHFFFAOYSA-N -1 1 401.423 1.915 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)NCc1ccc(CN2CCc3ccccc32)cc1 ZINC000727755775 1076230353 /nfs/dbraw/zinc/23/03/53/1076230353.db2.gz IFKJVLIRDJPADN-UHFFFAOYSA-N -1 1 404.470 1.806 20 0 HDADMM C[C@@H]1Oc2ccc(C(=O)COC(=O)c3sccc3[N-]S(C)(=O)=O)cc2NC1=O ZINC000728095610 1076328925 /nfs/dbraw/zinc/32/89/25/1076328925.db2.gz GUDWEJYPXYGZNL-VIFPVBQESA-N -1 1 424.456 1.879 20 0 HDADMM CSc1nc(C)c(CCC(=O)Nc2ccccc2C(=O)NCCC(N)=O)c(=O)[n-]1 ZINC000728150032 1076347477 /nfs/dbraw/zinc/34/74/77/1076347477.db2.gz XKHMTFDCPKULHJ-UHFFFAOYSA-N -1 1 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CCn1c(SCC(=O)N2CCO[C@H](c3nn[n-]n3)C2)nnc1-c1ccccc1C ZINC000731879938 1075552142 /nfs/dbraw/zinc/55/21/42/1075552142.db2.gz BKMBQRWQHPJAFC-AWEZNQCLSA-N -1 1 414.495 1.479 20 0 HDADMM CCc1ccc([C@@H](O)CNC(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)cc1 ZINC000804156668 1075562284 /nfs/dbraw/zinc/56/22/84/1075562284.db2.gz LMUXRGNRDCKYKZ-IBGZPJMESA-N -1 1 414.506 1.672 20 0 HDADMM NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(cnn3C(F)F)c2)c1 ZINC000676560303 1075600730 /nfs/dbraw/zinc/60/07/30/1075600730.db2.gz YVKKVCBOKSTEIB-UHFFFAOYSA-N -1 1 402.404 1.880 20 0 HDADMM Cn1cc(CNC(=O)c2ccc([O-])cc2F)c(NC(=O)c2ccc(O)cc2F)n1 ZINC000436903290 1075603143 /nfs/dbraw/zinc/60/31/43/1075603143.db2.gz MEPRYOKNLWZWKQ-UHFFFAOYSA-N -1 1 402.357 2.292 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCC[C@H](C2N=NC(=S)N2C)C1 ZINC000732076829 1075614785 /nfs/dbraw/zinc/61/47/85/1075614785.db2.gz WJVMXCKFDWKERR-ZDUSSCGKSA-N -1 1 415.523 1.808 20 0 HDADMM O=C(c1cnn(-c2cccc(Br)c2)c1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732088897 1075621336 /nfs/dbraw/zinc/62/13/36/1075621336.db2.gz HMRLDOVGGHNFLQ-ZDUSSCGKSA-N -1 1 404.228 1.362 20 0 HDADMM Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732088589 1075622262 /nfs/dbraw/zinc/62/22/62/1075622262.db2.gz CPEPOLBRRBULFB-ZDUSSCGKSA-N -1 1 404.427 1.896 20 0 HDADMM COc1ccc(-n2ccnc2SCC(=O)N2CCO[C@H](c3nn[n-]n3)C2)cc1 ZINC000732089193 1075623523 /nfs/dbraw/zinc/62/35/23/1075623523.db2.gz KOACVPUYWKGMQV-AWEZNQCLSA-N -1 1 401.452 1.086 20 0 HDADMM CCCc1c(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)nnn1-c1cccc(Cl)c1 ZINC000732090788 1075624505 /nfs/dbraw/zinc/62/45/05/1075624505.db2.gz UGXAMRZPMRDPFM-CQSZACIVSA-N -1 1 402.846 1.600 20 0 HDADMM COc1ccc(-c2nc(C(=O)N3CCO[C@H](c4nn[n-]n4)C3)cs2)cc1OC ZINC000732090877 1075624513 /nfs/dbraw/zinc/62/45/13/1075624513.db2.gz PEUUGZLXDKXKKG-AWEZNQCLSA-N -1 1 402.436 1.554 20 0 HDADMM O=C(Nc1cccc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)c1)[C@H]1Cc2ccccc2O1 ZINC000732090401 1075624716 /nfs/dbraw/zinc/62/47/16/1075624716.db2.gz VXFRVZOHXUPHEZ-MSOLQXFVSA-N -1 1 420.429 1.356 20 0 HDADMM CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732090391 1075624948 /nfs/dbraw/zinc/62/49/48/1075624948.db2.gz VVJBHODPAPWTMA-CABCVRRESA-N -1 1 402.455 1.236 20 0 HDADMM O=C(C(=Cc1ccco1)n1nnnc1-c1ccccc1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732090218 1075625273 /nfs/dbraw/zinc/62/52/73/1075625273.db2.gz PRVAWYWRVNHOQU-QZFKAFNDSA-N -1 1 419.405 1.044 20 0 HDADMM O=C(c1cnn(-c2ncccc2Cl)c1C(F)F)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732092405 1075627817 /nfs/dbraw/zinc/62/78/17/1075627817.db2.gz ZGTMFRXXNWTSKC-SNVBAGLBSA-N -1 1 410.772 1.585 20 0 HDADMM C[C@@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000676662141 1075643615 /nfs/dbraw/zinc/64/36/15/1075643615.db2.gz DLBVOOFPBJNLAB-DZGCQCFKSA-N -1 1 401.467 1.377 20 0 HDADMM O=C(CN1CCC(c2n[nH]c(=O)[n-]2)CC1)NCCc1ccc(OC(F)(F)F)cc1 ZINC000676662154 1075643715 /nfs/dbraw/zinc/64/37/15/1075643715.db2.gz GDPULAJXXTXDRD-UHFFFAOYSA-N -1 1 413.400 1.947 20 0 HDADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC3(C(N)=O)CCC3)cc2)cc1 ZINC000676672224 1075648763 /nfs/dbraw/zinc/64/87/63/1075648763.db2.gz NUWYDFPLAJHUAE-UHFFFAOYSA-N -1 1 403.460 1.634 20 0 HDADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C3N=NC(=S)N3C(C)C)C2)o1 ZINC000732168226 1075658165 /nfs/dbraw/zinc/65/81/65/1075658165.db2.gz HMKUTDBTMRKYCL-NSHDSACASA-N -1 1 413.525 1.669 20 0 HDADMM O=C(CC(F)(F)F)NC[C@H]1CCCN(C(=O)c2ccc3n[n-]c(=S)n3c2)C1 ZINC000804200670 1075663799 /nfs/dbraw/zinc/66/37/99/1075663799.db2.gz APPJJIBSHZRNJX-SNVBAGLBSA-N -1 1 401.414 1.939 20 0 HDADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NCCc3nnc(N)o3)cc2)c1C ZINC000552489263 1075715783 /nfs/dbraw/zinc/71/57/83/1075715783.db2.gz YFPRJDWCKAOVNF-UHFFFAOYSA-N -1 1 415.475 2.042 20 0 HDADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2C[C@H](F)CN2Cc2cnn(C)c2)o1 ZINC000509255997 1075716389 /nfs/dbraw/zinc/71/63/89/1075716389.db2.gz PKJATYWPMIBEMP-KBPBESRZSA-N -1 1 414.459 1.081 20 0 HDADMM Cc1onc(N)c1S(=O)(=O)[N-]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000574608045 1075727671 /nfs/dbraw/zinc/72/76/71/1075727671.db2.gz ZWGWJKYXJDMVHE-UHFFFAOYSA-N -1 1 400.766 1.990 20 0 HDADMM Cc1onc(N)c1S(=O)(=O)[N-]CCOc1ccc(I)cc1 ZINC000584081480 1075727705 /nfs/dbraw/zinc/72/77/05/1075727705.db2.gz XFWOMMHVBLTVHI-UHFFFAOYSA-N -1 1 423.232 1.527 20 0 HDADMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000583408802 1075730493 /nfs/dbraw/zinc/73/04/93/1075730493.db2.gz NQERLOKPWYMUJJ-KBPBESRZSA-N -1 1 400.888 1.569 20 0 HDADMM Cc1noc(C)c1S(=O)(=O)NCC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000509260377 1075747189 /nfs/dbraw/zinc/74/71/89/1075747189.db2.gz OUNROTIZBQUVJK-UHFFFAOYSA-N -1 1 406.508 1.223 20 0 HDADMM Cc1ccc(F)c(-c2cc(=NC(=O)CCc3c(C)nc4nc(N)nn4c3C)[nH][n-]2)c1 ZINC000444813264 1075752267 /nfs/dbraw/zinc/75/22/67/1075752267.db2.gz NCWMUOFGKDEPRT-UHFFFAOYSA-N -1 1 408.441 2.154 20 0 HDADMM CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)[N-]c3cnn(-c4ccncc4)c3)ccc2O1 ZINC000611028137 1075813866 /nfs/dbraw/zinc/81/38/66/1075813866.db2.gz LQSYVEGAGSLOTA-GOSISDBHSA-N -1 1 414.443 1.935 20 0 HDADMM O=C(CNC(=O)c1ccc(Br)cc1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000509297188 1075868058 /nfs/dbraw/zinc/86/80/58/1075868058.db2.gz WFLMVPQWYZEGGS-UHFFFAOYSA-N -1 1 409.240 1.674 20 0 HDADMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)ccc1N1C(=O)CCC1=O ZINC000732951068 1075917527 /nfs/dbraw/zinc/91/75/27/1075917527.db2.gz COVVJXBUHNAGCW-UHFFFAOYSA-N -1 1 413.455 1.968 20 0 HDADMM Cc1cc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)ccc1N1C(=O)CCC1=O ZINC000732952008 1075918288 /nfs/dbraw/zinc/91/82/88/1075918288.db2.gz WZYARWZMFJYVGR-UHFFFAOYSA-N -1 1 423.472 1.097 20 0 HDADMM COc1ccc(CC[C@@H]2CCCCN2C(=O)CCn2cc[n-]c(=O)c2=O)cc1OC ZINC000733144010 1075975398 /nfs/dbraw/zinc/97/53/98/1075975398.db2.gz KYSWFMXWFDKJGN-KRWDZBQOSA-N -1 1 415.490 1.958 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000733146519 1075982720 /nfs/dbraw/zinc/98/27/20/1075982720.db2.gz ZWMIMNAPJFBHFO-UHFFFAOYSA-N -1 1 418.251 1.573 20 0 HDADMM CC(C)(C)OC(=O)N1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)c2ccccc2C1 ZINC000733147355 1075983086 /nfs/dbraw/zinc/98/30/86/1075983086.db2.gz KESAKFDAULMLKK-UHFFFAOYSA-N -1 1 414.462 1.711 20 0 HDADMM O=C(c1cc(Br)ccc1[O-])N1CCC(N2CCCS2(=O)=O)CC1 ZINC001299302950 1076024387 /nfs/dbraw/zinc/02/43/87/1076024387.db2.gz UAAREPLQUDURGZ-UHFFFAOYSA-N -1 1 403.298 1.795 20 0 HDADMM CC(C)(C)c1nc(CN2CCN(C(=O)CCn3cc[n-]c(=O)c3=O)CC2)cs1 ZINC000727850200 1076270988 /nfs/dbraw/zinc/27/09/88/1076270988.db2.gz SLOQMNIIMKDIOE-UHFFFAOYSA-N -1 1 405.524 1.025 20 0 HDADMM CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)CC1 ZINC000727853059 1076272689 /nfs/dbraw/zinc/27/26/89/1076272689.db2.gz LTZOISAVWPPLKC-MRXNPFEDSA-N -1 1 420.510 1.565 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)NCc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000727854752 1076273439 /nfs/dbraw/zinc/27/34/39/1076273439.db2.gz SAICLIIJQNJKDY-UHFFFAOYSA-N -1 1 407.430 1.887 20 0 HDADMM CN(CC(=O)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1)C(=O)OC(C)(C)C ZINC000727895263 1076278013 /nfs/dbraw/zinc/27/80/13/1076278013.db2.gz QCHVONAKLJPSOF-UHFFFAOYSA-N -1 1 416.377 1.955 20 0 HDADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OCC(=O)NCC(=O)c2ccccc2)o1 ZINC000728093275 1076328211 /nfs/dbraw/zinc/32/82/11/1076328211.db2.gz GHJNOQXWVKFRLJ-UHFFFAOYSA-N -1 1 422.459 1.512 20 0 HDADMM C[C@H]1Oc2ccc(C(=O)COC(=O)c3sccc3[N-]S(C)(=O)=O)cc2NC1=O ZINC000728095608 1076328856 /nfs/dbraw/zinc/32/88/56/1076328856.db2.gz GUDWEJYPXYGZNL-SECBINFHSA-N -1 1 424.456 1.879 20 0 HDADMM Cn1c(=O)c2ccc(C(=O)[N-]S(=O)(=O)N3CCc4ccccc43)cc2[nH]c1=S ZINC000729902901 1076388539 /nfs/dbraw/zinc/38/85/39/1076388539.db2.gz ZJRXHWXXFDDFIB-UHFFFAOYSA-N -1 1 416.484 1.260 20 0 HDADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCOCC2)cc1 ZINC000729916636 1076394659 /nfs/dbraw/zinc/39/46/59/1076394659.db2.gz XHEHIOAXMMMPMA-UHFFFAOYSA-N -1 1 418.471 1.811 20 0 HDADMM CON(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)cc1 ZINC000729964865 1076399227 /nfs/dbraw/zinc/39/92/27/1076399227.db2.gz OXZGACGUXFEVQF-LBPRGKRZSA-N -1 1 412.489 1.993 20 0 HDADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCC[S@](C)=O)c2)cc1 ZINC000730106256 1076439719 /nfs/dbraw/zinc/43/97/19/1076439719.db2.gz ZXWXGOSZONLBNQ-SANMLTNESA-N -1 1 410.517 1.994 20 0 HDADMM Cc1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)CC3 ZINC000673636325 1073464466 /nfs/dbraw/zinc/46/44/66/1073464466.db2.gz BVWVTDYPWCMMKQ-UHFFFAOYSA-N -1 1 416.459 1.031 20 0 HDADMM CNS(=O)(=O)c1cc(NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])ccc1O ZINC000509078768 1073479674 /nfs/dbraw/zinc/47/96/74/1073479674.db2.gz AATHBLFGXLJTAD-UHFFFAOYSA-N -1 1 406.395 1.583 20 0 HDADMM Cc1cc(C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000673655310 1073584140 /nfs/dbraw/zinc/58/41/40/1073584140.db2.gz LZTNUSSUJVJHBT-GASCZTMLSA-N -1 1 414.510 1.375 20 0 HDADMM Cc1cc(C(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000673655310 1073584152 /nfs/dbraw/zinc/58/41/52/1073584152.db2.gz LZTNUSSUJVJHBT-GASCZTMLSA-N -1 1 414.510 1.375 20 0 HDADMM CN(C)C(=O)c1cccc(CNC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)c1 ZINC000509216612 1074155594 /nfs/dbraw/zinc/15/55/94/1074155594.db2.gz VRBZPGPYHHFXPX-UHFFFAOYSA-N -1 1 407.492 1.988 20 0 HDADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3ccc4c(n3)OCCO4)c2)n1 ZINC001128620419 1074186715 /nfs/dbraw/zinc/18/67/15/1074186715.db2.gz PDCQKJODAWZFRH-UHFFFAOYSA-N -1 1 409.402 1.745 20 0 HDADMM C[C@H](C(=O)N[C@H](c1nn[n-]n1)c1ccccc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000674603630 1074474870 /nfs/dbraw/zinc/47/48/70/1074474870.db2.gz OWXGCALRVOQXPC-GUYCJALGSA-N -1 1 414.491 1.459 20 0 HDADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3C[C@H](O)C[C@H](O)C3)ccc2C)cc1 ZINC000674804118 1074571565 /nfs/dbraw/zinc/57/15/65/1074571565.db2.gz GQISQQZHISQKKF-HDICACEKSA-N -1 1 404.488 1.672 20 0 HDADMM CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1 ZINC000674864960 1074595617 /nfs/dbraw/zinc/59/56/17/1074595617.db2.gz OBGPZCLCSQELDC-UHFFFAOYSA-N -1 1 409.489 1.625 20 0 HDADMM COc1ccc(NC(=O)N2CCC(OCCCO)CC2)cc1[N-]S(C)(=O)=O ZINC000674988704 1074661783 /nfs/dbraw/zinc/66/17/83/1074661783.db2.gz SEUWJFDVAOISRA-UHFFFAOYSA-N -1 1 401.485 1.462 20 0 HDADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)N1CCN2CCOC[C@H]2C1 ZINC000543612974 1074710152 /nfs/dbraw/zinc/71/01/52/1074710152.db2.gz MFVXLGJSKMVZHF-GOSISDBHSA-N -1 1 419.478 1.783 20 0 HDADMM COc1ccc(NC(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)cc1[N-]S(C)(=O)=O ZINC000675569169 1075207839 /nfs/dbraw/zinc/20/78/39/1075207839.db2.gz MNDDSKKLMGRMMI-OAHLLOKOSA-N -1 1 424.523 1.979 20 0 HDADMM O=C(Nc1cnn(CC(F)F)c1)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000675587675 1075227132 /nfs/dbraw/zinc/22/71/32/1075227132.db2.gz PEWZNQWQYAWQEU-UHFFFAOYSA-N -1 1 406.389 1.914 20 0 HDADMM COCCn1ncc2ccc([N-]S(=O)(=O)c3ccc4c(c3)S(=O)(=O)CC4)cc21 ZINC000675628776 1075243631 /nfs/dbraw/zinc/24/36/31/1075243631.db2.gz OQMFJTYEEHXKCW-UHFFFAOYSA-N -1 1 421.500 1.813 20 0 HDADMM Cn1nc2c(c1C(=O)Nc1cc(S(=O)(=O)N3CCOCC3)ccc1[O-])CCCC2 ZINC000676031943 1075330049 /nfs/dbraw/zinc/33/00/49/1075330049.db2.gz CTCRLKCLSTWWQD-UHFFFAOYSA-N -1 1 420.491 1.278 20 0 HDADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)c(N2C(=O)CNC2=O)c1C ZINC000509380357 1075340686 /nfs/dbraw/zinc/34/06/86/1075340686.db2.gz VRVOSSJXUAMHKX-UHFFFAOYSA-N -1 1 411.367 1.591 20 0 HDADMM COc1cccc(CNC(=O)[C@@H](C)OC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000731448038 1075345192 /nfs/dbraw/zinc/34/51/92/1075345192.db2.gz UQLQPWPJLGLEFT-CQSZACIVSA-N -1 1 412.446 1.851 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)O[C@@H](C)C(=O)NCc1ccccc1F ZINC000731447793 1075345508 /nfs/dbraw/zinc/34/55/08/1075345508.db2.gz LFUGEZRDRPPRBT-ZDUSSCGKSA-N -1 1 400.410 1.981 20 0 HDADMM CC(=O)Nc1ccc(NC(=O)COC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000731448486 1075346009 /nfs/dbraw/zinc/34/60/09/1075346009.db2.gz RITLTKQWERJIEG-UHFFFAOYSA-N -1 1 411.418 1.735 20 0 HDADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cccc3c2CCN3S(C)(=O)=O)cc1 ZINC000543661215 1075410717 /nfs/dbraw/zinc/41/07/17/1075410717.db2.gz FWLQGEYYRXXYGY-UHFFFAOYSA-N -1 1 423.516 1.792 20 0 HDADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C(N)=O)c2)cc1Cl ZINC000509387974 1075417711 /nfs/dbraw/zinc/41/77/11/1075417711.db2.gz XCJUJHSMRTZCAI-UHFFFAOYSA-N -1 1 410.839 1.523 20 0 HDADMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(NC(=O)C(N)=O)c3)cc(Cl)c2O1 ZINC000509389962 1075432836 /nfs/dbraw/zinc/43/28/36/1075432836.db2.gz GQEYEAIKFRPLDX-VIFPVBQESA-N -1 1 409.851 1.888 20 0 HDADMM C[C@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)[C@H]1CN(C)CCO1 ZINC000676257907 1075452645 /nfs/dbraw/zinc/45/26/45/1075452645.db2.gz NTKGWLYJJMEDLV-HNAYVOBHSA-N -1 1 403.504 1.936 20 0 HDADMM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3cccc(NC(=O)C(N)=O)c3)cc21 ZINC000509395904 1075463472 /nfs/dbraw/zinc/46/34/72/1075463472.db2.gz GDVURQYTGMUTON-UHFFFAOYSA-N -1 1 416.459 1.210 20 0 HDADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@H]1CN(C)CCN1C ZINC000509401487 1075497026 /nfs/dbraw/zinc/49/70/26/1075497026.db2.gz JVLPWZHWDZYVOK-NSHDSACASA-N -1 1 410.323 1.304 20 0 HDADMM CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]c2ccccc2N2CCN(C)CC2)s1 ZINC000731781182 1075522485 /nfs/dbraw/zinc/52/24/85/1075522485.db2.gz OHNCOEUDVGNGPX-UHFFFAOYSA-N -1 1 409.537 1.963 20 0 HDADMM O=C(c1cccc(NS(=O)(=O)c2ccccc2)c1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000731853411 1075534842 /nfs/dbraw/zinc/53/48/42/1075534842.db2.gz LNVPLVUOARTTCI-INIZCTEOSA-N -1 1 414.447 1.214 20 0 HDADMM O=C(c1ccc(F)cc1I)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000731853351 1075535025 /nfs/dbraw/zinc/53/50/25/1075535025.db2.gz KIEHPOFSTORJMJ-JTQLQIEISA-N -1 1 403.155 1.157 20 0 HDADMM COc1cc(CCC(=O)N2CCO[C@H](c3nn[n-]n3)C2)ccc1OCC(F)(F)F ZINC000731854291 1075535697 /nfs/dbraw/zinc/53/56/97/1075535697.db2.gz XMCVZDJXZOLVQR-AWEZNQCLSA-N -1 1 415.372 1.682 20 0 HDADMM O=C(CCCN1C(=O)c2cccc3cccc(c32)C1=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000731854057 1075536069 /nfs/dbraw/zinc/53/60/69/1075536069.db2.gz RJBBEZICKSFDSW-MRXNPFEDSA-N -1 1 420.429 1.329 20 0 HDADMM COc1ccc(C(=O)Nc2ccccc2C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)cc1 ZINC000731854848 1075536793 /nfs/dbraw/zinc/53/67/93/1075536793.db2.gz ILZRJVOXMRGYRH-QGZVFWFLSA-N -1 1 408.418 1.674 20 0 HDADMM C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000731855024 1075537382 /nfs/dbraw/zinc/53/73/82/1075537382.db2.gz BBEZHCYPBAFGMW-PRHODGIISA-N -1 1 400.208 1.469 20 0 HDADMM Cc1cccc(C2N=NC(=S)N2CCC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)c1 ZINC000731854987 1075537917 /nfs/dbraw/zinc/53/79/17/1075537917.db2.gz NVPUYXBLANJDAO-CYBMUJFWSA-N -1 1 400.468 1.046 20 0 HDADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NC3(C(N)=O)CCOCC3)c2)c1 ZINC000676398833 1075543384 /nfs/dbraw/zinc/54/33/84/1075543384.db2.gz JEBHZDYFLMBGTM-UHFFFAOYSA-N -1 1 417.487 1.560 20 0 HDADMM NC(=O)C1(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)CCOCC1 ZINC000676398961 1075543432 /nfs/dbraw/zinc/54/34/32/1075543432.db2.gz PBRVAOVCMBTZKW-UHFFFAOYSA-N -1 1 421.450 1.391 20 0 HDADMM O=C(CSc1ccccc1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1)N1CCCC1 ZINC000731880113 1075551191 /nfs/dbraw/zinc/55/11/91/1075551191.db2.gz FTDIPTXNTJXGCP-CQSZACIVSA-N -1 1 402.480 1.128 20 0 HDADMM COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(=O)[nH][n-]2)c1 ZINC000731866129 1075559003 /nfs/dbraw/zinc/55/90/03/1075559003.db2.gz QVVOOIAGAQJPGM-UHFFFAOYSA-N -1 1 404.404 1.016 20 0 HDADMM COc1cccc([C@H](O)C(=O)OCC(=O)[N-]C(=O)c2ccc(OC(F)F)cc2)c1 ZINC000731913387 1075568270 /nfs/dbraw/zinc/56/82/70/1075568270.db2.gz ZQXKBBMNMYBOFC-INIZCTEOSA-N -1 1 409.341 1.830 20 0 HDADMM COc1cc(F)c(S(=O)(=O)[N-]CCNS(=O)(=O)c2cccs2)c(F)c1 ZINC000676562155 1075601420 /nfs/dbraw/zinc/60/14/20/1075601420.db2.gz ZQFWMCKREXKFGP-UHFFFAOYSA-N -1 1 412.461 1.292 20 0 HDADMM COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732092017 1075608834 /nfs/dbraw/zinc/60/88/34/1075608834.db2.gz VDLWZEBAFBHRLQ-ZFWWWQNUSA-N -1 1 420.857 1.066 20 0 HDADMM Cn1ccc(NC(=O)C[N-]S(=O)(=O)c2cc(Br)sc2Cl)n1 ZINC000565443485 1075612166 /nfs/dbraw/zinc/61/21/66/1075612166.db2.gz JPUCTOBRGFJJCW-UHFFFAOYSA-N -1 1 413.706 1.815 20 0 HDADMM O=C(c1ccccc1CS(=O)(=O)c1ccccc1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732089726 1075622959 /nfs/dbraw/zinc/62/29/59/1075622959.db2.gz CJKSRYUAKFIBLK-KRWDZBQOSA-N -1 1 413.459 1.387 20 0 HDADMM COc1cc(NC(=O)C(C)(C)C)c(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)cc1OC ZINC000732089712 1075623120 /nfs/dbraw/zinc/62/31/20/1075623120.db2.gz BWDLWZTZJGIKAX-HNNXBMFYSA-N -1 1 418.454 1.415 20 0 HDADMM Cc1c(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)cnn1-c1cccc(Br)c1 ZINC000732089578 1075623513 /nfs/dbraw/zinc/62/35/13/1075623513.db2.gz KCIOHDMOFBUDGZ-CQSZACIVSA-N -1 1 418.255 1.670 20 0 HDADMM Cc1sc2ncnc(SCCC(=O)N3CCO[C@H](c4nn[n-]n4)C3)c2c1C ZINC000732089602 1075623539 /nfs/dbraw/zinc/62/35/39/1075623539.db2.gz OVVHYTUDAHVARM-NSHDSACASA-N -1 1 405.509 1.904 20 0 HDADMM COc1ccc(-c2nc(C(=O)N3CCO[C@@H](c4nn[n-]n4)C3)cs2)cc1OC ZINC000732090878 1075624362 /nfs/dbraw/zinc/62/43/62/1075624362.db2.gz PEUUGZLXDKXKKG-CQSZACIVSA-N -1 1 402.436 1.554 20 0 HDADMM O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCO[C@@H](c2nn[n-]n2)C1)c1ccccc1 ZINC000732090956 1075625182 /nfs/dbraw/zinc/62/51/82/1075625182.db2.gz WPDBEQNORNSOKA-ZWKOTPCHSA-N -1 1 406.446 1.141 20 0 HDADMM O=C(C(=Cc1ccco1)n1nnnc1-c1ccccc1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732090220 1075625259 /nfs/dbraw/zinc/62/52/59/1075625259.db2.gz PRVAWYWRVNHOQU-SFKKXYGYSA-N -1 1 419.405 1.044 20 0 HDADMM Cc1ccc2nc(COc3ccccc3C(=O)N3CCO[C@H](c4nn[n-]n4)C3)cn2c1 ZINC000732090458 1075625333 /nfs/dbraw/zinc/62/53/33/1075625333.db2.gz JYWQQADXAJSABX-SFHVURJKSA-N -1 1 419.445 1.949 20 0 HDADMM CCn1c(SCC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)nnc1-c1cccs1 ZINC000732091202 1075627597 /nfs/dbraw/zinc/62/75/97/1075627597.db2.gz VDIFNNPISCUEMI-SNVBAGLBSA-N -1 1 406.497 1.232 20 0 HDADMM COC(=O)[C@@](C)([N-]S(=O)(=O)c1c[nH]nc1C)c1cccc(Br)c1 ZINC000732221502 1075673913 /nfs/dbraw/zinc/67/39/13/1075673913.db2.gz CKUVQAJUOFAFDF-AWEZNQCLSA-N -1 1 402.270 1.847 20 0 HDADMM Cc1onc(N)c1S(=O)(=O)[N-]CC(=O)Nc1cc(Br)ccc1C ZINC000518258805 1075726437 /nfs/dbraw/zinc/72/64/37/1075726437.db2.gz XIIIASOZGHWVBD-UHFFFAOYSA-N -1 1 403.258 1.553 20 0 HDADMM Cc1onc(N)c1S(=O)(=O)[N-]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000573764429 1075729883 /nfs/dbraw/zinc/72/98/83/1075729883.db2.gz WAAYVZCQZWHUGU-UHFFFAOYSA-N -1 1 410.765 1.759 20 0 HDADMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000583408803 1075730430 /nfs/dbraw/zinc/73/04/30/1075730430.db2.gz NQERLOKPWYMUJJ-KGLIPLIRSA-N -1 1 400.888 1.569 20 0 HDADMM Nc1ccnc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)n1 ZINC000531634949 1075746354 /nfs/dbraw/zinc/74/63/54/1075746354.db2.gz MZDNEYUCRGKYFI-UHFFFAOYSA-N -1 1 401.423 1.929 20 0 HDADMM Cc1sc2ncn(CCC(=O)N3CCC(c4n[n-]c(=O)o4)CC3)c(=O)c2c1C ZINC000509261384 1075749989 /nfs/dbraw/zinc/74/99/89/1075749989.db2.gz BVFPGXABEGPVLJ-UHFFFAOYSA-N -1 1 403.464 1.960 20 0 HDADMM CCCCNC(=O)OC[C@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000804232048 1075781079 /nfs/dbraw/zinc/78/10/79/1075781079.db2.gz DFYTVODEPXMQLX-CYBMUJFWSA-N -1 1 401.485 1.709 20 0 HDADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@@H](O)[C@@H](C)O)cc2)cc1 ZINC001168763244 1075784077 /nfs/dbraw/zinc/78/40/77/1075784077.db2.gz CAEFZQJMKGQCEU-FZKQIMNGSA-N -1 1 408.476 1.358 20 0 HDADMM Cn1cc([C@@H]2[C@@H](C(=O)N3CCC(c4n[n-]c(=O)o4)CC3)CC(=O)N2C(C)(C)C)cn1 ZINC000509274732 1075800065 /nfs/dbraw/zinc/80/00/65/1075800065.db2.gz ASGIJEVUYLXFEA-GOEBONIOSA-N -1 1 416.482 1.603 20 0 HDADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@]3(CO)CCOC3)c2)cc1 ZINC000543602726 1075827248 /nfs/dbraw/zinc/82/72/48/1075827248.db2.gz LEVIUSCFWHAGJS-FQEVSTJZSA-N -1 1 420.487 1.767 20 0 HDADMM NS(=O)(=O)c1ccc(OCCSCC(=O)Nc2c([O-])cccc2F)cc1 ZINC000611294897 1075891153 /nfs/dbraw/zinc/89/11/53/1075891153.db2.gz SWKJLZPSCFXVHX-UHFFFAOYSA-N -1 1 400.453 1.929 20 0 HDADMM O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000017637682 1075894654 /nfs/dbraw/zinc/89/46/54/1075894654.db2.gz WEQXIKSIUZISRL-HNNXBMFYSA-N -1 1 412.464 1.543 20 0 HDADMM COC(=O)C(C)(C)[C@H]1CCCN([C@H]2CC(=O)N(Cc3ccc(C(=O)[O-])cc3)C2=O)C1 ZINC000611304576 1075896138 /nfs/dbraw/zinc/89/61/38/1075896138.db2.gz HWUNTSQRPFRNMC-IRXDYDNUSA-N -1 1 416.474 1.924 20 0 HDADMM COC(=O)C(C)(C)[C@H]1CCCN([C@@H]2CC(=O)N(Cc3ccc(C(=O)[O-])cc3)C2=O)C1 ZINC000611304574 1075896308 /nfs/dbraw/zinc/89/63/08/1075896308.db2.gz HWUNTSQRPFRNMC-DLBZAZTESA-N -1 1 416.474 1.924 20 0 HDADMM Cc1cccc(NC(=O)CCn2cc[n-]c(=O)c2=O)c1C(=O)NCCc1ccccc1 ZINC000733141353 1075974126 /nfs/dbraw/zinc/97/41/26/1075974126.db2.gz GYTSILBKNSZRFH-UHFFFAOYSA-N -1 1 420.469 1.846 20 0 HDADMM COc1ccc(CC[C@H]2CCCCN2C(=O)CCn2cc[n-]c(=O)c2=O)cc1OC ZINC000733144013 1075975369 /nfs/dbraw/zinc/97/53/69/1075975369.db2.gz KYSWFMXWFDKJGN-QGZVFWFLSA-N -1 1 415.490 1.958 20 0 HDADMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2cccc(N3C(=O)CNC3=O)c2)cc1 ZINC000733249672 1076023170 /nfs/dbraw/zinc/02/31/70/1076023170.db2.gz PEMFPCSTEVQVII-UHFFFAOYSA-N -1 1 403.416 1.259 20 0 HDADMM Cc1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1cc(Br)cnc1Cl)CC2 ZINC000727172999 1076069506 /nfs/dbraw/zinc/06/95/06/1076069506.db2.gz RHWDQQPVTYKBSZ-SECBINFHSA-N -1 1 406.693 1.691 20 0 HDADMM CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)NCCO)cc2)cc1 ZINC000727797491 1076257375 /nfs/dbraw/zinc/25/73/75/1076257375.db2.gz SJSMEAYVAWWNNG-UHFFFAOYSA-N -1 1 420.487 1.705 20 0 HDADMM Cc1ccc(Br)cc1NC(=O)CCNC(=O)CCn1cc[n-]c(=O)c1=O ZINC000727853580 1076272090 /nfs/dbraw/zinc/27/20/90/1076272090.db2.gz NAACHBZTTKORER-UHFFFAOYSA-N -1 1 423.267 1.143 20 0 HDADMM COc1cc(CNC(=O)CCn2cc[n-]c(=O)c2=O)cc(Br)c1OC ZINC000727853006 1076272386 /nfs/dbraw/zinc/27/23/86/1076272386.db2.gz DHMFMDCWRRAQMR-UHFFFAOYSA-N -1 1 412.240 1.023 20 0 HDADMM Cc1cccc(N2C(=O)N[C@@H](CCC(=O)OCC(=O)[N-]C(=O)c3ccccc3)C2=O)c1 ZINC000730869738 1076680166 /nfs/dbraw/zinc/68/01/66/1076680166.db2.gz QYNVPIFNSKMSTG-KRWDZBQOSA-N -1 1 423.425 1.700 20 0 HDADMM Cc1cccc(N2C(=O)N[C@H](CCC(=O)OCC(=O)[N-]C(=O)c3ccccc3)C2=O)c1 ZINC000730869742 1076680195 /nfs/dbraw/zinc/68/01/95/1076680195.db2.gz QYNVPIFNSKMSTG-QGZVFWFLSA-N -1 1 423.425 1.700 20 0 HDADMM COC(=O)CCS(=O)(=O)[N-]c1cccc(S(=O)(=O)NC2=NCCCCC2)c1 ZINC000731050760 1076713619 /nfs/dbraw/zinc/71/36/19/1076713619.db2.gz CYFDSQHSLHVWDO-UHFFFAOYSA-N -1 1 417.509 1.242 20 0 HDADMM COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)c1 ZINC000537371884 939266716 /nfs/dbraw/zinc/26/67/16/939266716.db2.gz SCYFVTMXDOKCCC-IBGZPJMESA-N -1 1 420.443 1.470 20 0 HDADMM O=C([O-])C1(NC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)CCS(=O)(=O)CC1 ZINC000562433716 939329157 /nfs/dbraw/zinc/32/91/57/939329157.db2.gz IHTJFAQFVONFSQ-UHFFFAOYSA-N -1 1 402.379 1.654 20 0 HDADMM CC(C)c1ccc(C(C)(C)NC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)cc1 ZINC000673659605 1073606670 /nfs/dbraw/zinc/60/66/70/1073606670.db2.gz DRQJMEIGEJNXTR-UHFFFAOYSA-N -1 1 407.492 1.832 20 0 HDADMM CC(C)n1ncc2cc(NC(=O)c3ccc(S(=O)(=O)[N-]CC(N)=O)o3)ccc21 ZINC000673675496 1073630944 /nfs/dbraw/zinc/63/09/44/1073630944.db2.gz PVTUYMBGZQMMKN-UHFFFAOYSA-N -1 1 405.436 1.226 20 0 HDADMM CNS(=O)(=O)c1cccc(NC(=O)c2cc(C)ccc2[N-]S(C)(=O)=O)c1C ZINC000483568713 1073733071 /nfs/dbraw/zinc/73/30/71/1073733071.db2.gz RAYXYEBPRQGGFV-UHFFFAOYSA-N -1 1 411.505 1.835 20 0 HDADMM COc1ccc(NC(=O)N2CCC(N3CCCC3=O)CC2)cc1[N-]S(C)(=O)=O ZINC000673859605 1073827242 /nfs/dbraw/zinc/82/72/42/1073827242.db2.gz IUFRMYAPOZRZEV-UHFFFAOYSA-N -1 1 410.496 1.685 20 0 HDADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(=O)n2[n-]cnc2n1)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001005053304 1074007038 /nfs/dbraw/zinc/00/70/38/1074007038.db2.gz VQFTVDQIXOGYKK-RPCDLPGOSA-N -1 1 410.478 1.106 20 0 HDADMM CCC[C@@H](NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2)c1nn[n-]n1 ZINC000674376276 1074300547 /nfs/dbraw/zinc/30/05/47/1074300547.db2.gz PXPGAIKYOHSOGG-MRXNPFEDSA-N -1 1 406.512 1.405 20 0 HDADMM CN1C(=O)N[C@@]2(CCC[C@@H]2C[N-]S(=O)(=O)c2sccc2Br)C1=O ZINC000674419353 1074320305 /nfs/dbraw/zinc/32/03/05/1074320305.db2.gz CDSQDSQMLTVNLH-AMIZOPFISA-N -1 1 422.326 1.509 20 0 HDADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2SCC(N)=O)cc1C(=O)N(C)C ZINC000509230873 1074450308 /nfs/dbraw/zinc/45/03/08/1074450308.db2.gz BXWWMGUNCRIAFB-UHFFFAOYSA-N -1 1 423.516 1.775 20 0 HDADMM CCc1ccccc1-n1cc([O-])c(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)n1 ZINC000674604505 1074480985 /nfs/dbraw/zinc/48/09/85/1074480985.db2.gz LVMHOLGDRGMYGJ-SFHVURJKSA-N -1 1 413.522 1.277 20 0 HDADMM O=C(Nc1ccn(CC(F)F)n1)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000674762507 1074555052 /nfs/dbraw/zinc/55/50/52/1074555052.db2.gz MXENRBQTIHOWEA-UHFFFAOYSA-N -1 1 406.389 1.914 20 0 HDADMM COc1ccc(NC(=O)NCCS(=O)(=O)CC2CC2)cc1[N-]S(C)(=O)=O ZINC000766073664 1074576974 /nfs/dbraw/zinc/57/69/74/1074576974.db2.gz CMEFJKYRYVJOIX-UHFFFAOYSA-N -1 1 405.498 1.013 20 0 HDADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCN4CCOC[C@H]4C3)c2)cc1 ZINC000543613025 1074710988 /nfs/dbraw/zinc/71/09/88/1074710988.db2.gz MXRFXFOKWWKVJA-LJQANCHMSA-N -1 1 415.515 1.952 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000766100883 1074768132 /nfs/dbraw/zinc/76/81/32/1074768132.db2.gz QSGVWSFKGQPLLY-UHFFFAOYSA-N -1 1 418.475 1.588 20 0 HDADMM NC(=O)[C@@H]1CCCN(Cc2ccccc2[N-]S(=O)(=O)c2cnc3n2CCC3)C1 ZINC000509240955 1074802405 /nfs/dbraw/zinc/80/24/05/1074802405.db2.gz OQJZYMDGMNJLBT-OAHLLOKOSA-N -1 1 403.508 1.327 20 0 HDADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCN(C(=O)c2ccccc2)CC1 ZINC000042105471 1075145121 /nfs/dbraw/zinc/14/51/21/1075145121.db2.gz UNVDLSBZTIXGPF-UHFFFAOYSA-N -1 1 417.469 1.667 20 0 HDADMM CCOc1cccc(CCNS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)n1 ZINC000675467454 1075166283 /nfs/dbraw/zinc/16/62/83/1075166283.db2.gz MVAVJAPTPHBSSX-UHFFFAOYSA-N -1 1 417.484 1.512 20 0 HDADMM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccccc1CN1CCC[C@H](C(N)=O)C1 ZINC000509249828 1075172948 /nfs/dbraw/zinc/17/29/48/1075172948.db2.gz RVYCLKPULPKGNZ-INIZCTEOSA-N -1 1 405.524 1.535 20 0 HDADMM CCNc1ncc(C(=O)NCc2cccc(-c3nc(C(=O)OCC)n[n-]3)c2)s1 ZINC000448468280 1075255178 /nfs/dbraw/zinc/25/51/78/1075255178.db2.gz TXTABKHPNVFVHH-UHFFFAOYSA-N -1 1 400.464 2.467 20 0 HDADMM C[C@H](CCO)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000675720892 1075262621 /nfs/dbraw/zinc/26/26/21/1075262621.db2.gz QXQINMFGCYLHQU-CYBMUJFWSA-N -1 1 406.460 1.759 20 0 HDADMM Cc1ccc(-n2nc(C(=O)Nc3n[n-]c(S(C)(=O)=O)n3)c3c2CCCC3)cc1 ZINC000518136869 1075267858 /nfs/dbraw/zinc/26/78/58/1075267858.db2.gz XYSNSKFXXGVGNR-UHFFFAOYSA-N -1 1 400.464 1.833 20 0 HDADMM Cc1ccc(-n2nc(C(=O)Nc3nc(S(C)(=O)=O)n[n-]3)c3c2CCCC3)cc1 ZINC000518136869 1075267862 /nfs/dbraw/zinc/26/78/62/1075267862.db2.gz XYSNSKFXXGVGNR-UHFFFAOYSA-N -1 1 400.464 1.833 20 0 HDADMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)c1 ZINC000026155066 1075268620 /nfs/dbraw/zinc/26/86/20/1075268620.db2.gz ISRKTUYPBBQQGW-UHFFFAOYSA-N -1 1 409.489 1.887 20 0 HDADMM CN1CCN(c2ccc([N-]S(=O)(=O)c3ccccc3Cn3cncn3)nc2)CC1 ZINC000543645083 1075276139 /nfs/dbraw/zinc/27/61/39/1075276139.db2.gz UKNSXKWXBGSBDQ-UHFFFAOYSA-N -1 1 413.507 1.274 20 0 HDADMM COc1ccc(C([O-])=C2[C@@H](c3csnn3)NC(=S)N[C@]2(O)C(F)(F)F)cc1 ZINC000731427263 1075346988 /nfs/dbraw/zinc/34/69/88/1075346988.db2.gz IFDQIPJHWFZZPT-MISXGVKJSA-N -1 1 418.422 1.816 20 0 HDADMM CON(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(CCNC(C)=O)cc2)cc1 ZINC000731433681 1075350009 /nfs/dbraw/zinc/35/00/09/1075350009.db2.gz FRZCNRXPYCDYOS-UHFFFAOYSA-N -1 1 405.476 1.799 20 0 HDADMM CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)N[C@@H](c1nn[n-]n1)c1ccccc1)C2=O ZINC000676122649 1075395160 /nfs/dbraw/zinc/39/51/60/1075395160.db2.gz CSQNWXDLUUEIHT-FOIQADDNSA-N -1 1 411.466 1.296 20 0 HDADMM C[C@@H]1C[C@H]([N-]S(=O)(=O)Cc2cc(Cl)ccc2F)C(=O)N1c1cnn(C)c1 ZINC000676235432 1075441134 /nfs/dbraw/zinc/44/11/34/1075441134.db2.gz IXBWFYCZPCFTAG-BMIGLBTASA-N -1 1 400.863 1.826 20 0 HDADMM CCS(=O)(=O)NCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000731691338 1075473129 /nfs/dbraw/zinc/47/31/29/1075473129.db2.gz GFLHDQUWIQAIOP-UHFFFAOYSA-N -1 1 412.489 1.584 20 0 HDADMM CC[C@H](C)n1nc(NC(=O)C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1C ZINC000580334821 1075493049 /nfs/dbraw/zinc/49/30/49/1075493049.db2.gz RZBVIOLEXZXEPV-NSHDSACASA-N -1 1 423.495 2.120 20 0 HDADMM Cc1nc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)nn1-c1c(Cl)cccc1Cl ZINC000478065352 1075511834 /nfs/dbraw/zinc/51/18/34/1075511834.db2.gz UYYBVJMSGXZMND-UHFFFAOYSA-N -1 1 416.250 1.656 20 0 HDADMM Cc1nc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)nn1-c1c(Cl)cccc1Cl ZINC000478065352 1075511837 /nfs/dbraw/zinc/51/18/37/1075511837.db2.gz UYYBVJMSGXZMND-UHFFFAOYSA-N -1 1 416.250 1.656 20 0 HDADMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNc1nc(C(F)F)nc2ccccc21 ZINC000463245454 1075525818 /nfs/dbraw/zinc/52/58/18/1075525818.db2.gz CKOZTSDJNUYFRW-UHFFFAOYSA-N -1 1 415.447 2.428 20 0 HDADMM O=C(c1cccc(NS(=O)(=O)c2ccccc2)c1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000731853413 1075534715 /nfs/dbraw/zinc/53/47/15/1075534715.db2.gz LNVPLVUOARTTCI-MRXNPFEDSA-N -1 1 414.447 1.214 20 0 HDADMM CCOc1cc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)ccc1OCc1cccnc1 ZINC000731852767 1075534742 /nfs/dbraw/zinc/53/47/42/1075534742.db2.gz GMZPPIKJLALOKM-GOSISDBHSA-N -1 1 410.434 1.786 20 0 HDADMM O=C(c1ccc(F)cc1I)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000731853352 1075535104 /nfs/dbraw/zinc/53/51/04/1075535104.db2.gz KIEHPOFSTORJMJ-SNVBAGLBSA-N -1 1 403.155 1.157 20 0 HDADMM Cc1c(Br)c2ccccc2n1CC(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000731854764 1075536368 /nfs/dbraw/zinc/53/63/68/1075536368.db2.gz CQWFDEVZYMKUIR-ZDUSSCGKSA-N -1 1 405.256 1.825 20 0 HDADMM O=C(c1cccc(CN2C(=O)c3ccccc3C2=O)c1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000731855436 1075536610 /nfs/dbraw/zinc/53/66/10/1075536610.db2.gz MUZSQDJKDJNKOV-KRWDZBQOSA-N -1 1 418.413 1.210 20 0 HDADMM CS(=O)(=O)c1nc(NC(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)n[n-]1 ZINC000537923507 1075547153 /nfs/dbraw/zinc/54/71/53/1075547153.db2.gz DBJNORONUFAQLX-UHFFFAOYSA-N -1 1 401.235 1.953 20 0 HDADMM CS(=O)(=O)c1n[n-]c(NC(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)n1 ZINC000537923507 1075547160 /nfs/dbraw/zinc/54/71/60/1075547160.db2.gz DBJNORONUFAQLX-UHFFFAOYSA-N -1 1 401.235 1.953 20 0 HDADMM CN1CCN(C)[C@@H](CNC(=O)CCCCCn2c(=O)c3ccccc3[n-]c2=S)C1 ZINC000731873288 1075548593 /nfs/dbraw/zinc/54/85/93/1075548593.db2.gz NEVXGBVQRUEQPW-INIZCTEOSA-N -1 1 417.579 1.608 20 0 HDADMM Cc1ccc(C)c(S(=O)(=O)C2(C(=O)N3CCO[C@H](c4nn[n-]n4)C3)CCCC2)c1 ZINC000731880504 1075551298 /nfs/dbraw/zinc/55/12/98/1075551298.db2.gz OHYORBXXNPGJKU-HNNXBMFYSA-N -1 1 419.507 1.503 20 0 HDADMM O=C(c1cnn(-c2ccccc2F)c1-n1cccc1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000731879982 1075551641 /nfs/dbraw/zinc/55/16/41/1075551641.db2.gz CWXDKKOSZAEYLL-MRXNPFEDSA-N -1 1 408.397 1.529 20 0 HDADMM CC(C)c1ccc(-n2cnnc2SCC(=O)N2CCO[C@H](c3nn[n-]n3)C2)cc1 ZINC000731880162 1075551700 /nfs/dbraw/zinc/55/17/00/1075551700.db2.gz HLZLCTYSSQUDNF-HNNXBMFYSA-N -1 1 414.495 1.596 20 0 HDADMM CCc1ccccc1-n1cnnc1SCC(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000731880828 1075551966 /nfs/dbraw/zinc/55/19/66/1075551966.db2.gz YQTIWFARJMJTSN-AWEZNQCLSA-N -1 1 400.468 1.035 20 0 HDADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@H]1CCCS(=O)(=O)C1 ZINC000509420562 1075594173 /nfs/dbraw/zinc/59/41/73/1075594173.db2.gz NEIXLNKLBDJRMT-VIFPVBQESA-N -1 1 416.304 1.636 20 0 HDADMM O=C(c1cccc(S(=O)(=O)Cc2ccccc2)c1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732088592 1075622090 /nfs/dbraw/zinc/62/20/90/1075622090.db2.gz CQGQLRDVODRRJS-KRWDZBQOSA-N -1 1 413.459 1.387 20 0 HDADMM CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732090393 1075624727 /nfs/dbraw/zinc/62/47/27/1075624727.db2.gz VVJBHODPAPWTMA-HUUCEWRRSA-N -1 1 402.455 1.236 20 0 HDADMM O=C(c1nnn(-c2ccccc2F)c1C(F)(F)F)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732091708 1075626231 /nfs/dbraw/zinc/62/62/31/1075626231.db2.gz NXXJQAKPVSQIOL-SNVBAGLBSA-N -1 1 412.307 1.152 20 0 HDADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](CNC(=O)OC(C)(C)C)CC(C)C)o1 ZINC000732141150 1075647704 /nfs/dbraw/zinc/64/77/04/1075647704.db2.gz BCMRJTXIZQBILY-LBPRGKRZSA-N -1 1 403.501 1.857 20 0 HDADMM Cc1onc(N)c1S(=O)(=O)[N-][C@H]1CCN(c2ccccc2Br)C1 ZINC000562001873 1075732238 /nfs/dbraw/zinc/73/22/38/1075732238.db2.gz WXJMNQGPHHYFTM-JTQLQIEISA-N -1 1 401.286 1.885 20 0 HDADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000509257315 1075737050 /nfs/dbraw/zinc/73/70/50/1075737050.db2.gz TUIDYDGFEXERFT-SNVBAGLBSA-N -1 1 412.434 1.528 20 0 HDADMM O=C(c1cncc(I)c1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000509261396 1075750060 /nfs/dbraw/zinc/75/00/60/1075750060.db2.gz BNWAWFHEYWTYIY-UHFFFAOYSA-N -1 1 400.176 1.795 20 0 HDADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@H](O)[C@@H](C)O)cc2)cc1 ZINC001168763243 1075784045 /nfs/dbraw/zinc/78/40/45/1075784045.db2.gz CAEFZQJMKGQCEU-ACJLOTCBSA-N -1 1 408.476 1.358 20 0 HDADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCC[C@H](N2CCCCC2=O)C1 ZINC000732776568 1075853859 /nfs/dbraw/zinc/85/38/59/1075853859.db2.gz RAEKWBXTXIBPFP-KRWDZBQOSA-N -1 1 409.490 1.686 20 0 HDADMM COCCN1CCCN(C(=O)c2ccccc2[N-]S(=O)(=O)C(F)(F)F)CC1 ZINC000732754974 1075856901 /nfs/dbraw/zinc/85/69/01/1075856901.db2.gz MRTUEPVOHNKLES-UHFFFAOYSA-N -1 1 409.430 1.742 20 0 HDADMM Cc1ccccc1[C@H](O)CNC(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC000732834355 1075882278 /nfs/dbraw/zinc/88/22/78/1075882278.db2.gz KAVJYPWKAVZKNC-GOSISDBHSA-N -1 1 400.479 1.418 20 0 HDADMM CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCn1cc[n-]c(=O)c1=O ZINC000733142317 1075974656 /nfs/dbraw/zinc/97/46/56/1075974656.db2.gz ACPYEHPAZXWQEG-HZPDHXFCSA-N -1 1 420.510 1.707 20 0 HDADMM Cn1nnnc1COC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000733417873 1076071714 /nfs/dbraw/zinc/07/17/14/1076071714.db2.gz JYBSBFRLLMSPOL-UHFFFAOYSA-N -1 1 405.411 1.436 20 0 HDADMM Cc1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)cc1NC(=O)CCn1cc[n-]c(=O)c1=O ZINC000727754943 1076229314 /nfs/dbraw/zinc/22/93/14/1076229314.db2.gz JJVYNQNNAVUQOX-GASCZTMLSA-N -1 1 412.490 1.992 20 0 HDADMM CCCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)cc1 ZINC000727795424 1076257356 /nfs/dbraw/zinc/25/73/56/1076257356.db2.gz GMJQHNPOHOJZHC-UHFFFAOYSA-N -1 1 420.443 1.869 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000727851347 1076271430 /nfs/dbraw/zinc/27/14/30/1076271430.db2.gz FTYGNCMZNKTXSY-CYBMUJFWSA-N -1 1 421.295 1.332 20 0 HDADMM C[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)c1cc2c(cc1Br)OCCO2 ZINC000727852357 1076271711 /nfs/dbraw/zinc/27/17/11/1076271711.db2.gz SDWVLTPRMFNFHQ-SNVBAGLBSA-N -1 1 424.251 1.338 20 0 HDADMM CNS(=O)(=O)c1ccccc1N1CCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000727860301 1076274620 /nfs/dbraw/zinc/27/46/20/1076274620.db2.gz DFTGHTRBOUHZDE-UHFFFAOYSA-N -1 1 409.895 1.916 20 0 HDADMM O=C(COC(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F)[N-]C(=O)c1ccccc1 ZINC000727927390 1076285173 /nfs/dbraw/zinc/28/51/73/1076285173.db2.gz ATDCXLDQOWJIFT-GFCCVEGCSA-N -1 1 402.325 1.650 20 0 HDADMM O=C(COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)NC1CCOCC1 ZINC000728086397 1076325153 /nfs/dbraw/zinc/32/51/53/1076325153.db2.gz MFKDHIKBRWXGEF-UHFFFAOYSA-N -1 1 418.471 1.939 20 0 HDADMM NC(=O)c1ccccc1OCC(=O)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000729927819 1076395985 /nfs/dbraw/zinc/39/59/85/1076395985.db2.gz UNCZXQUGOVHEGC-UHFFFAOYSA-N -1 1 422.340 1.266 20 0 HDADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)Cc2cccc(NS(C)(=O)=O)c2)cc1 ZINC000730339683 1076533165 /nfs/dbraw/zinc/53/31/65/1076533165.db2.gz MKWKDZYLLIAQGB-UHFFFAOYSA-N -1 1 420.443 1.109 20 0 HDADMM CN(C)C(=O)CN1CCN(C(=O)COC(=O)c2ccc(Cl)c(Cl)c2[O-])CC1 ZINC000730360925 1076550651 /nfs/dbraw/zinc/55/06/51/1076550651.db2.gz SMDIJGWJAFVYMR-UHFFFAOYSA-N -1 1 418.277 1.088 20 0 HDADMM COc1cc[nH]c(=N[N-]S(=O)(=O)c2cc(Br)cc(F)c2OC)n1 ZINC000730765082 1076648087 /nfs/dbraw/zinc/64/80/87/1076648087.db2.gz BEDQBZDDQQGYAW-UHFFFAOYSA-N -1 1 407.221 1.701 20 0 HDADMM CCC(Nc1cc(CC(C)(C)C)nn1C)=C1C(=O)[N-]C(=S)N(CCOC)C1=O ZINC000731058241 1076720324 /nfs/dbraw/zinc/72/03/24/1076720324.db2.gz TXPTXSWGAOBNRB-FYWRMAATSA-N -1 1 407.540 1.974 20 0 HDADMM CCN1C(=S)N=NC1CNC(=O)c1cc(I)ccc1[O-] ZINC000731227104 1076757122 /nfs/dbraw/zinc/75/71/22/1076757122.db2.gz OSBIOYVWGULSIV-UHFFFAOYSA-N -1 1 404.233 1.827 20 0 HDADMM COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@]2(C(=O)[O-])CCOC2)c1 ZINC000537371885 939266771 /nfs/dbraw/zinc/26/67/71/939266771.db2.gz SCYFVTMXDOKCCC-LJQANCHMSA-N -1 1 420.443 1.470 20 0 HDADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1Cl ZINC000014097739 1073475991 /nfs/dbraw/zinc/47/59/91/1073475991.db2.gz URNLCFXPRNTNQF-UHFFFAOYSA-N -1 1 403.869 1.747 20 0 HDADMM Cc1nc(-c2ccc(NC(=O)c3ccc(S(=O)(=O)[N-]CC(N)=O)o3)cc2)oc1C ZINC000673644732 1073507494 /nfs/dbraw/zinc/50/74/94/1073507494.db2.gz FZUQQVIAZKMAAJ-UHFFFAOYSA-N -1 1 418.431 1.567 20 0 HDADMM COc1ccc([C@@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c2ccccc2)cc1 ZINC000015334443 1073610224 /nfs/dbraw/zinc/61/02/24/1073610224.db2.gz KNOGOABLTQJDEP-SFHVURJKSA-N -1 1 415.471 1.161 20 0 HDADMM O=C(Cn1cc(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)cn1)NC1CCCCC1 ZINC000673755995 1073691268 /nfs/dbraw/zinc/69/12/68/1073691268.db2.gz GMHMNARIJUGQCQ-SFHVURJKSA-N -1 1 408.466 1.365 20 0 HDADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCOCC3)c3ccncc23)o1 ZINC000509143296 1073717632 /nfs/dbraw/zinc/71/76/32/1073717632.db2.gz XCOWVNSAPODLCI-UHFFFAOYSA-N -1 1 416.459 1.825 20 0 HDADMM C[C@]1(CNS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CCO[C@@H]1C1CC1 ZINC000466552954 1073886687 /nfs/dbraw/zinc/88/66/87/1073886687.db2.gz QZAGRYMIYJAAHK-HZPDHXFCSA-N -1 1 406.501 1.681 20 0 HDADMM O=C(NCc1c[nH]nn1)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000673919303 1073891059 /nfs/dbraw/zinc/89/10/59/1073891059.db2.gz SLLCJXKRQBMQLO-UHFFFAOYSA-N -1 1 415.431 1.307 20 0 HDADMM O=C(NCc1c[nH]nn1)c1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000673920507 1073891430 /nfs/dbraw/zinc/89/14/30/1073891430.db2.gz UWRASVOUOGQRNL-UHFFFAOYSA-N -1 1 413.419 1.117 20 0 HDADMM CN(CCCO)C(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000509179367 1073947805 /nfs/dbraw/zinc/94/78/05/1073947805.db2.gz AKJFFHXGPYWPFO-UHFFFAOYSA-N -1 1 406.460 1.713 20 0 HDADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000015755973 1073992714 /nfs/dbraw/zinc/99/27/14/1073992714.db2.gz ZLFGXEAZQQZQKV-UHFFFAOYSA-N -1 1 423.516 1.632 20 0 HDADMM CS(=O)(=O)c1ccc2c(c1)N(S(=O)(=O)c1cc(C(=O)[O-])ccc1O)CCC2 ZINC000674336233 1074283415 /nfs/dbraw/zinc/28/34/15/1074283415.db2.gz HGHYYDIHGJKOCM-UHFFFAOYSA-N -1 1 411.457 1.635 20 0 HDADMM O=C(c1cc(S(=O)(=O)N2CCCC2)ccc1[O-])N1CCC(c2nc[nH]n2)CC1 ZINC000674366788 1074295689 /nfs/dbraw/zinc/29/56/89/1074295689.db2.gz BMHHVPAFCNACIC-UHFFFAOYSA-N -1 1 405.480 1.315 20 0 HDADMM COC(=O)Cn1cc(C[N-]S(=O)(=O)c2c(Cl)cccc2Br)nn1 ZINC000509227184 1074344680 /nfs/dbraw/zinc/34/46/80/1074344680.db2.gz YHCKOIQFVGRIPJ-UHFFFAOYSA-N -1 1 423.676 1.346 20 0 HDADMM CN(Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000674486859 1074390707 /nfs/dbraw/zinc/39/07/07/1074390707.db2.gz FJBAJMQJDUFFPY-CQSZACIVSA-N -1 1 415.475 1.331 20 0 HDADMM COc1cc(OC)cc(N2C[C@H](C(=O)N[C@H](c3nn[n-]n3)c3ccccc3)CC2=O)c1 ZINC000674603581 1074474887 /nfs/dbraw/zinc/47/48/87/1074474887.db2.gz NGGQHENRGVNTOO-KUHUBIRLSA-N -1 1 422.445 1.476 20 0 HDADMM CCOC(=O)c1c[n-]c(NC(=O)[C@H](CSC)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)n1 ZINC001128846770 1074590135 /nfs/dbraw/zinc/59/01/35/1074590135.db2.gz GXWRVLVWXAAGCR-LOWVWBTDSA-N -1 1 408.480 1.432 20 0 HDADMM C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)c2)C[C@@H]1O ZINC000509310936 1074732095 /nfs/dbraw/zinc/73/20/95/1074732095.db2.gz RRKBXYXVELVKBR-WBMJQRKESA-N -1 1 404.444 1.669 20 0 HDADMM CCC[C@H](NC(=O)c1cc(Br)cc(S(N)(=O)=O)c1C)c1nn[n-]n1 ZINC000675145449 1074743458 /nfs/dbraw/zinc/74/34/58/1074743458.db2.gz SPXCYUXOVXPIOH-JTQLQIEISA-N -1 1 417.289 1.189 20 0 HDADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCC(C)(C)[C@H]1CCCCO1 ZINC000675169209 1074750588 /nfs/dbraw/zinc/75/05/88/1074750588.db2.gz MQGTZDHWVNOWID-QGZVFWFLSA-N -1 1 406.527 1.971 20 0 HDADMM CCn1cc(S(=O)(=O)[N-]c2ccccc2CN2CCC[C@H](C(N)=O)C2)nc1C ZINC000509241849 1074813521 /nfs/dbraw/zinc/81/35/21/1074813521.db2.gz WZKFIOMBSVGVCE-INIZCTEOSA-N -1 1 405.524 1.710 20 0 HDADMM Cc1cc(NC(=O)CN2CCN(C(=O)c3ccc(Br)cc3[O-])CC2)no1 ZINC000436754356 1075115479 /nfs/dbraw/zinc/11/54/79/1075115479.db2.gz IVOVKKQGLLQDTP-UHFFFAOYSA-N -1 1 423.267 1.848 20 0 HDADMM O=C(Nc1ccn(CCO)n1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000567067347 1075192559 /nfs/dbraw/zinc/19/25/59/1075192559.db2.gz AWEIFADVRSVYHM-UHFFFAOYSA-N -1 1 401.448 2.320 20 0 HDADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@@H]1CCN(C2CCCCC2)C1=O ZINC000675908953 1075294848 /nfs/dbraw/zinc/29/48/48/1075294848.db2.gz FZELPNPHDYXTPY-GOSISDBHSA-N -1 1 409.490 1.733 20 0 HDADMM Cc1nc(C(=O)Nc2nc(CC(=O)[O-])cs2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000675944635 1075303458 /nfs/dbraw/zinc/30/34/58/1075303458.db2.gz CTXMAFQRAMRMEW-UHFFFAOYSA-N -1 1 402.318 1.049 20 0 HDADMM COc1cc(NC(=O)C(=O)Nc2cc(C(C)(C)C)on2)ccc1[N-]S(C)(=O)=O ZINC000446723253 1075316013 /nfs/dbraw/zinc/31/60/13/1075316013.db2.gz PHUGFENEWONFOY-UHFFFAOYSA-N -1 1 410.452 1.929 20 0 HDADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C(N)=O)c2)cc1OCC ZINC000509378782 1075337032 /nfs/dbraw/zinc/33/70/32/1075337032.db2.gz MRSFWBKMBOYQQK-UHFFFAOYSA-N -1 1 407.448 1.709 20 0 HDADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2CS(C)(=O)=O)o1 ZINC001129172396 1075338761 /nfs/dbraw/zinc/33/87/61/1075338761.db2.gz WUZAVUISNWRXAH-GFCCVEGCSA-N -1 1 406.526 1.396 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)O[C@@H](C)C(=O)NC(=O)Nc1ccccc1 ZINC000731447914 1075345123 /nfs/dbraw/zinc/34/51/23/1075345123.db2.gz PKZAYYROJFVWAN-ZDUSSCGKSA-N -1 1 411.418 1.874 20 0 HDADMM COc1ccc(C([O-])=C2[C@@H](c3csnn3)NC(=S)N[C@@]2(O)C(F)(F)F)cc1 ZINC000731427265 1075347078 /nfs/dbraw/zinc/34/70/78/1075347078.db2.gz IFDQIPJHWFZZPT-WDMOLILDSA-N -1 1 418.422 1.816 20 0 HDADMM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ccccc1N1CCN(C)CC1 ZINC000731780500 1075522181 /nfs/dbraw/zinc/52/21/81/1075522181.db2.gz DQPZBXIQNUIZLI-UHFFFAOYSA-N -1 1 407.496 1.447 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@@H](CC(C)C)C(=O)Nc1cc[nH]n1 ZINC000479647407 1075529863 /nfs/dbraw/zinc/52/98/63/1075529863.db2.gz DMXABXWETJTSJU-HNNXBMFYSA-N -1 1 413.482 1.877 20 0 HDADMM COc1cc(NC(=O)N2CCC(Cn3cncn3)CC2)ccc1[N-]S(C)(=O)=O ZINC000429432785 1075541873 /nfs/dbraw/zinc/54/18/73/1075541873.db2.gz VJFPQHRMJVFIML-UHFFFAOYSA-N -1 1 408.484 1.602 20 0 HDADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC3(C(N)=O)CCOCC3)c2)cc1 ZINC000676399100 1075543138 /nfs/dbraw/zinc/54/31/38/1075543138.db2.gz UVUOUQRNJUNBKE-UHFFFAOYSA-N -1 1 417.487 1.560 20 0 HDADMM O=C(c1ccccc1)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000731879964 1075551660 /nfs/dbraw/zinc/55/16/60/1075551660.db2.gz CKTWYHRHXFVHHI-MHORFTMASA-N -1 1 410.478 1.573 20 0 HDADMM O=C(CSc1nncn1-c1cccc(Cl)c1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000731879913 1075551667 /nfs/dbraw/zinc/55/16/67/1075551667.db2.gz ADMVZHFMLWFMKF-LBPRGKRZSA-N -1 1 406.859 1.126 20 0 HDADMM CCc1ccccc1-n1cnnc1SCC(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000731880829 1075552049 /nfs/dbraw/zinc/55/20/49/1075552049.db2.gz YQTIWFARJMJTSN-CQSZACIVSA-N -1 1 400.468 1.035 20 0 HDADMM COc1ccc(NC(=O)c2cc(=O)[nH][n-]2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000731867253 1075559216 /nfs/dbraw/zinc/55/92/16/1075559216.db2.gz PGFAEXLQYONNOJ-UHFFFAOYSA-N -1 1 406.395 1.450 20 0 HDADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(-n3cnnn3)ccc2F)c(F)cc1F ZINC000732045486 1075594404 /nfs/dbraw/zinc/59/44/04/1075594404.db2.gz BILNAEVXDCGNTR-UHFFFAOYSA-N -1 1 413.337 1.667 20 0 HDADMM O=C(C=Cc1ccc(I)o1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732092312 1075608403 /nfs/dbraw/zinc/60/84/03/1075608403.db2.gz XITQJWFCHSUZFG-LXOKAJLYSA-N -1 1 401.164 1.011 20 0 HDADMM O=C(COc1ccc(Br)cc1Cl)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732088869 1075621762 /nfs/dbraw/zinc/62/17/62/1075621762.db2.gz HDESZQSTJVPFJX-NSHDSACASA-N -1 1 402.636 1.595 20 0 HDADMM CC(C)(C)OC(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732089556 1075623473 /nfs/dbraw/zinc/62/34/73/1075623473.db2.gz JWTIHIRBPHTODA-XGUBFFRZSA-N -1 1 406.487 1.668 20 0 HDADMM O=C([C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732089449 1075623546 /nfs/dbraw/zinc/62/35/46/1075623546.db2.gz MVRTUJUWOZDYFZ-ZANVPECISA-N -1 1 411.249 1.460 20 0 HDADMM CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732090016 1075623891 /nfs/dbraw/zinc/62/38/91/1075623891.db2.gz GBSGATSGACKHPP-BELXIORKSA-N -1 1 416.526 1.457 20 0 HDADMM CCc1nc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)nn1-c1c(Cl)cccc1Cl ZINC000732090578 1075624801 /nfs/dbraw/zinc/62/48/01/1075624801.db2.gz WZCMBLHHFYKISM-NSHDSACASA-N -1 1 423.264 1.863 20 0 HDADMM O=C(c1ccccc1OC(F)F)N1CCC[C@H]1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732091701 1075626275 /nfs/dbraw/zinc/62/62/75/1075626275.db2.gz NUIAIYJLKVOFIZ-GXTWGEPZSA-N -1 1 422.392 1.006 20 0 HDADMM O=C(c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732091598 1075626620 /nfs/dbraw/zinc/62/66/20/1075626620.db2.gz KDHYVZDGVZTZIQ-ZWKOTPCHSA-N -1 1 405.414 1.868 20 0 HDADMM CC(C)c1nc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)nn1-c1ccccc1Cl ZINC000732091480 1075627076 /nfs/dbraw/zinc/62/70/76/1075627076.db2.gz FZWUEXXFEQEYHF-CYBMUJFWSA-N -1 1 402.846 1.771 20 0 HDADMM O=C(Nc1cccc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)c1)c1ccc2[nH]cnc2c1 ZINC000732091150 1075627605 /nfs/dbraw/zinc/62/76/05/1075627605.db2.gz SUHFWFVXMKCLJY-QGZVFWFLSA-N -1 1 418.417 1.542 20 0 HDADMM C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000676662145 1075643583 /nfs/dbraw/zinc/64/35/83/1075643583.db2.gz DLBVOOFPBJNLAB-HIFRSBDPSA-N -1 1 401.467 1.377 20 0 HDADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCCc2nnc(N)o2)cc1 ZINC000470967036 1075723020 /nfs/dbraw/zinc/72/30/20/1075723020.db2.gz LWHASFPJXNEMJZ-UHFFFAOYSA-N -1 1 401.448 1.734 20 0 HDADMM Cc1onc(N)c1S(=O)(=O)[N-][C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000583408804 1075731985 /nfs/dbraw/zinc/73/19/85/1075731985.db2.gz NQERLOKPWYMUJJ-UONOGXRCSA-N -1 1 400.888 1.569 20 0 HDADMM Nc1ccnc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)n1 ZINC000475451567 1075746722 /nfs/dbraw/zinc/74/67/22/1075746722.db2.gz GCEOQRHZUIRVMR-UHFFFAOYSA-N -1 1 401.423 1.929 20 0 HDADMM Nc1noc(CCNC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)n1 ZINC000478875168 1075760614 /nfs/dbraw/zinc/76/06/14/1075760614.db2.gz WDFQDPZUVBDGAJ-UHFFFAOYSA-N -1 1 405.411 1.564 20 0 HDADMM O=C(c1cc(F)ccc1I)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000611072344 1075825157 /nfs/dbraw/zinc/82/51/57/1075825157.db2.gz LWSKMZUDMLIXPM-MRVPVSSYSA-N -1 1 401.183 1.963 20 0 HDADMM CNC(=O)Cn1nc(NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)cc1C ZINC000444344129 1075826062 /nfs/dbraw/zinc/82/60/62/1075826062.db2.gz PWONXNVSJVIZEG-UHFFFAOYSA-N -1 1 418.251 1.794 20 0 HDADMM COCCN1CCC[C@H](NC(=O)c2ccccc2[N-]S(=O)(=O)C(F)(F)F)C1 ZINC000732763913 1075848248 /nfs/dbraw/zinc/84/82/48/1075848248.db2.gz MZUVIULBIHPJPG-LBPRGKRZSA-N -1 1 409.430 1.789 20 0 HDADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732787770 1075857550 /nfs/dbraw/zinc/85/75/50/1075857550.db2.gz LSAJHLUVMDTOBH-CQSZACIVSA-N -1 1 423.395 1.304 20 0 HDADMM O=S(=O)([N-]CC1(N2CCOCC2)CC1)c1cc(Br)cnc1Cl ZINC000766184676 1075871849 /nfs/dbraw/zinc/87/18/49/1075871849.db2.gz WMUJZNARACQEDU-UHFFFAOYSA-N -1 1 410.721 1.641 20 0 HDADMM CCn1cc(S(=O)(=O)Nc2cc(OC)cc(S(C)(=O)=O)c2)cc1C(=O)[O-] ZINC000507613620 1075979153 /nfs/dbraw/zinc/97/91/53/1075979153.db2.gz SOMIVGGRVXEEEL-UHFFFAOYSA-N -1 1 402.450 1.419 20 0 HDADMM CS(=O)(=O)[N-]c1ccsc1C(=O)OCC(=O)Nc1nnc([C@@H]2CCCO2)o1 ZINC000727513447 1076156038 /nfs/dbraw/zinc/15/60/38/1076156038.db2.gz HOINYLCOTJFJAO-VIFPVBQESA-N -1 1 416.437 1.150 20 0 HDADMM CS(=O)(=O)[N-]c1ccsc1C(=O)OCC(=O)Nc1nnc([C@H]2CCCO2)o1 ZINC000727513445 1076156116 /nfs/dbraw/zinc/15/61/16/1076156116.db2.gz HOINYLCOTJFJAO-SECBINFHSA-N -1 1 416.437 1.150 20 0 HDADMM O=C(COC(=O)CNC(=O)c1ccc(O)cc1)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000727542117 1076160600 /nfs/dbraw/zinc/16/06/00/1076160600.db2.gz SDBAXBKOPHQPIX-UHFFFAOYSA-N -1 1 422.340 1.223 20 0 HDADMM C[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000733778144 1076203273 /nfs/dbraw/zinc/20/32/73/1076203273.db2.gz MYTCHPDFLDWCEQ-CQSZACIVSA-N -1 1 407.430 1.451 20 0 HDADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)NC[C@H]2C[C@H](O)CN2Cc2ccccc2)c1 ZINC000535648736 1076253063 /nfs/dbraw/zinc/25/30/63/1076253063.db2.gz NLLPJKIZXMESLB-MSOLQXFVSA-N -1 1 417.531 1.732 20 0 HDADMM CCn1cc(S(=O)(=O)Nc2ccc3nc4n(c(=O)c3c2)CCC4)cc1C(=O)[O-] ZINC000536611536 1076256710 /nfs/dbraw/zinc/25/67/10/1076256710.db2.gz KEVVBJIECWNOEL-UHFFFAOYSA-N -1 1 402.432 1.663 20 0 HDADMM CC(C)(C)OC(=O)NCCc1ccc(CNC(=O)CCn2cc[n-]c(=O)c2=O)cc1 ZINC000727853699 1076272064 /nfs/dbraw/zinc/27/20/64/1076272064.db2.gz KNSJIKXKILTUCE-UHFFFAOYSA-N -1 1 416.478 1.310 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000733987609 1076284681 /nfs/dbraw/zinc/28/46/81/1076284681.db2.gz XBWRJOJFLDQWFH-LBPRGKRZSA-N -1 1 412.368 1.220 20 0 HDADMM O=C(CCn1c(=O)c2ccccc2[n-]c1=S)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000730087677 1076441380 /nfs/dbraw/zinc/44/13/80/1076441380.db2.gz XEBXJJWOXOBRLS-IRXDYDNUSA-N -1 1 402.520 1.133 20 0 HDADMM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)[N-]c3c(F)cccc3-n3cccn3)cnc21 ZINC000730203982 1076482405 /nfs/dbraw/zinc/48/24/05/1076482405.db2.gz GOQUKTCCVCKUQX-UHFFFAOYSA-N -1 1 416.394 1.160 20 0 HDADMM CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000730532364 1076591590 /nfs/dbraw/zinc/59/15/90/1076591590.db2.gz DTPNCPXACFKMIB-UHFFFAOYSA-N -1 1 422.411 1.680 20 0 HDADMM Cc1cc(=O)n2nc(COC(=O)c3sccc3[N-]S(C)(=O)=O)sc2n1 ZINC000730603636 1076612957 /nfs/dbraw/zinc/61/29/57/1076612957.db2.gz AMNGODSTAZJMKY-UHFFFAOYSA-N -1 1 400.463 1.249 20 0 HDADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H](NC(=O)OC)C(C)C)c1 ZINC000731051374 1076719210 /nfs/dbraw/zinc/71/92/10/1076719210.db2.gz YYQKPDILYKPDNQ-HNNXBMFYSA-N -1 1 401.485 1.742 20 0 HDADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1)[C@@H]1COCCO1 ZINC000509108933 1073544762 /nfs/dbraw/zinc/54/47/62/1073544762.db2.gz CFZLMNHAJLFTME-SFHVURJKSA-N -1 1 420.443 1.613 20 0 HDADMM CN(C)c1nc(CNS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)cs1 ZINC000673823928 1073768889 /nfs/dbraw/zinc/76/88/89/1073768889.db2.gz PADMCYFKDROHQH-UHFFFAOYSA-N -1 1 408.502 1.198 20 0 HDADMM CNC(=O)Nc1cccc(NC(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)c1 ZINC000029163383 1073775581 /nfs/dbraw/zinc/77/55/81/1073775581.db2.gz XUBQRSDIPRXBKI-UHFFFAOYSA-N -1 1 414.466 1.238 20 0 HDADMM COc1ccccc1C(=O)N1CCN(C(=O)c2c(C)[n-]c(=O)nc2SC)CC1 ZINC000673829861 1073788466 /nfs/dbraw/zinc/78/84/66/1073788466.db2.gz FDEWQDVSNUOMRS-UHFFFAOYSA-N -1 1 402.476 1.819 20 0 HDADMM COc1ccc(NC(=O)N2CCC(NC(=O)C3CC3)CC2)cc1[N-]S(C)(=O)=O ZINC000673859571 1073826793 /nfs/dbraw/zinc/82/67/93/1073826793.db2.gz IEEVROOVMHMOKH-UHFFFAOYSA-N -1 1 410.496 1.589 20 0 HDADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)Cn3c(C)nc4ccccc4c3=O)CC2)n1 ZINC000509170813 1073892237 /nfs/dbraw/zinc/89/22/37/1073892237.db2.gz LZZLEXQUVGYWGQ-UHFFFAOYSA-N -1 1 424.461 1.406 20 0 HDADMM CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)Nc2ccc([O-])c(Cl)c2)s1 ZINC000509180821 1073951023 /nfs/dbraw/zinc/95/10/23/1073951023.db2.gz FPGCOTKDNCDYOO-UHFFFAOYSA-N -1 1 417.896 1.660 20 0 HDADMM COc1cccc(-c2nc(=NC(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)s[n-]2)c1 ZINC000543523596 1073997862 /nfs/dbraw/zinc/99/78/62/1073997862.db2.gz HFYYQXXMUASTDN-CQSZACIVSA-N -1 1 401.492 1.271 20 0 HDADMM CN(C)S(=O)(=O)c1ccc(F)c([N-]S(=O)(=O)c2cccc3c2OCO3)c1 ZINC000509211501 1074143468 /nfs/dbraw/zinc/14/34/68/1074143468.db2.gz NAMMZUCYYXYKQZ-UHFFFAOYSA-N -1 1 402.425 1.606 20 0 HDADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@@](C)(NC(C)=O)C(C)C)c2)n1 ZINC001128619637 1074186190 /nfs/dbraw/zinc/18/61/90/1074186190.db2.gz CRKBSAWSGNMFKJ-FQEVSTJZSA-N -1 1 401.467 1.815 20 0 HDADMM CS(=O)(=O)NCc1ccc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)o1 ZINC000674709751 1074537673 /nfs/dbraw/zinc/53/76/73/1074537673.db2.gz YXXHSSNMESEBFQ-UHFFFAOYSA-N -1 1 406.460 1.770 20 0 HDADMM O=C(NCc1nn[n-]n1)C(=O)Nc1ccnc(Oc2ccccc2Br)c1 ZINC000674763355 1074556159 /nfs/dbraw/zinc/55/61/59/1074556159.db2.gz RVTWRDVOAGQWGV-UHFFFAOYSA-N -1 1 418.211 1.404 20 0 HDADMM C[C@H](OC[C@H]1CCCO1)C(=O)N1CCC([C@@H]2OCC[C@H]2[N-]C(=O)C(F)(F)F)CC1 ZINC001128871506 1074612028 /nfs/dbraw/zinc/61/20/28/1074612028.db2.gz OVZMZAZCWQYEOG-XZDPQHSOSA-N -1 1 422.444 1.645 20 0 HDADMM CC(C)n1cc(S(=O)(=O)[N-]c2ccccc2CN2CCC[C@@H](C(N)=O)C2)cn1 ZINC000509238644 1074698255 /nfs/dbraw/zinc/69/82/55/1074698255.db2.gz XFWRQWBGTSMMFX-MRXNPFEDSA-N -1 1 405.524 1.962 20 0 HDADMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H]2CCCN(C(=O)COc3ccccc3)C2)n1 ZINC001128945793 1074719269 /nfs/dbraw/zinc/71/92/69/1074719269.db2.gz BFGVEYDJVISDQN-CQSZACIVSA-N -1 1 400.435 1.843 20 0 HDADMM COC(=O)CCc1nnc([N-]C(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)s1 ZINC000609872801 1074731294 /nfs/dbraw/zinc/73/12/94/1074731294.db2.gz WFCDHZYZZQYROH-UHFFFAOYSA-N -1 1 419.488 1.922 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)OCC(=O)N1CCOC[C@H]1C1CC1 ZINC000766093810 1074739043 /nfs/dbraw/zinc/73/90/43/1074739043.db2.gz HUPQDHVENRVIRW-INIZCTEOSA-N -1 1 402.451 1.165 20 0 HDADMM CCC[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1nn[n-]n1 ZINC000675144688 1074743115 /nfs/dbraw/zinc/74/31/15/1074743115.db2.gz UALSSJISVDWCCS-OAHLLOKOSA-N -1 1 408.528 1.823 20 0 HDADMM CCC[C@@H](NC(=O)CCCN(C)S(=O)(=O)c1ccc(C(C)=O)cc1)c1nn[n-]n1 ZINC000675145053 1074743235 /nfs/dbraw/zinc/74/32/35/1074743235.db2.gz ZIVOVUCHBCDWHP-MRXNPFEDSA-N -1 1 422.511 1.461 20 0 HDADMM Cc1nn(C)cc1[C@H]1CCCN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000675236456 1074768678 /nfs/dbraw/zinc/76/86/78/1074768678.db2.gz DEKCRGJTEKESRF-OAHLLOKOSA-N -1 1 416.500 1.765 20 0 HDADMM COc1cc(S(=O)(=O)Nc2cc(C(N)=O)sc2C)cc(C(=O)[O-])c1OC ZINC000675277825 1074783860 /nfs/dbraw/zinc/78/38/60/1074783860.db2.gz MHFLZZRSFSHECR-UHFFFAOYSA-N -1 1 400.434 1.672 20 0 HDADMM C[C@@H](c1ccccc1)n1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)n1 ZINC000675390957 1075122614 /nfs/dbraw/zinc/12/26/14/1075122614.db2.gz SNJOPXFHCSQTEV-LBPRGKRZSA-N -1 1 417.447 1.101 20 0 HDADMM COC[C@@H](C)n1ccc(NC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)n1 ZINC000574850351 1075231114 /nfs/dbraw/zinc/23/11/14/1075231114.db2.gz KMMCFOLQIVIHAC-SNVBAGLBSA-N -1 1 421.306 2.314 20 0 HDADMM CC(=O)Nc1cc(S(=O)(=O)N2CCCc3ccc(S(C)(=O)=O)cc32)ccc1[O-] ZINC000675752924 1075264374 /nfs/dbraw/zinc/26/43/74/1075264374.db2.gz RNBUFATZEAPQSF-UHFFFAOYSA-N -1 1 424.500 1.896 20 0 HDADMM Cn1nccc1[C@@H]1C[C@@H](NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CCO1 ZINC001129066102 1075277989 /nfs/dbraw/zinc/27/79/89/1075277989.db2.gz DNEHUXVEPHVEDR-WFASDCNBSA-N -1 1 410.496 1.740 20 0 HDADMM Cc1ccc(NC(=O)CSc2nnc([N-]C(=O)c3ncn(C)n3)s2)c(C)c1 ZINC000574846327 1075297878 /nfs/dbraw/zinc/29/78/78/1075297878.db2.gz HSZNXPNVQUFSNZ-UHFFFAOYSA-N -1 1 403.493 2.267 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCC(=O)NCCO[C@H]1CCCC[C@H]1C ZINC000731448294 1075344804 /nfs/dbraw/zinc/34/48/04/1075344804.db2.gz ICHNYXZULFIIBN-DYVFJYSZSA-N -1 1 418.494 1.849 20 0 HDADMM COc1cccc(C([O-])=C2[C@H](c3csnn3)NC(=S)N[C@]2(O)C(F)(F)F)c1 ZINC000731427709 1075348185 /nfs/dbraw/zinc/34/81/85/1075348185.db2.gz QOACDXWPDVSLNZ-COPLHBTASA-N -1 1 418.422 1.816 20 0 HDADMM COC(=O)C1(c2ccc(S(=O)(=O)[N-]c3cccc(NC(=O)C(N)=O)c3)cc2)CC1 ZINC000509382159 1075349509 /nfs/dbraw/zinc/34/95/09/1075349509.db2.gz ARKIXBSTUFUKBL-UHFFFAOYSA-N -1 1 417.443 1.116 20 0 HDADMM CS(=O)(=O)CCS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000731596806 1075405387 /nfs/dbraw/zinc/40/53/87/1075405387.db2.gz XSXREMHBPQFYJX-UHFFFAOYSA-N -1 1 421.493 1.445 20 0 HDADMM COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)[N-]c1nc(C2CC2)no1 ZINC001129195819 1075432319 /nfs/dbraw/zinc/43/23/19/1075432319.db2.gz YMDKWARSBNBNJG-UHFFFAOYSA-N -1 1 408.436 1.229 20 0 HDADMM C[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000676233766 1075449945 /nfs/dbraw/zinc/44/99/45/1075449945.db2.gz SXOAEWITVSGZFN-MNOVXSKESA-N -1 1 401.385 1.734 20 0 HDADMM CS(=O)(=O)N1CCc2c1cccc2[N-]S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000543663732 1075456513 /nfs/dbraw/zinc/45/65/13/1075456513.db2.gz PIQHMRPAAYRXKY-UHFFFAOYSA-N -1 1 409.445 1.656 20 0 HDADMM CC[C@H](C)n1nc(NC(=O)NCC[N-]S(=O)(=O)c2sc(=O)[nH]c2C)cc1C ZINC000481150856 1075494327 /nfs/dbraw/zinc/49/43/27/1075494327.db2.gz RFJYANOUQLZRFK-VIFPVBQESA-N -1 1 416.529 1.733 20 0 HDADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)Nc1cc(-c2ccccc2)on1 ZINC000461646786 1075519633 /nfs/dbraw/zinc/51/96/33/1075519633.db2.gz MELWRVLTCMDCFN-UHFFFAOYSA-N -1 1 409.446 2.554 20 0 HDADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3cc(F)c(N4CCCC4)c(F)c3)cc2[nH]c1=O ZINC000731783234 1075523770 /nfs/dbraw/zinc/52/37/70/1075523770.db2.gz WERUUOOMQYJSEO-UHFFFAOYSA-N -1 1 422.413 1.896 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCCNc1ccc(-c2ccccc2)nn1 ZINC000443842444 1075529899 /nfs/dbraw/zinc/52/98/99/1075529899.db2.gz ZYKQESWCIRJCRY-UHFFFAOYSA-N -1 1 417.473 2.280 20 0 HDADMM Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CCO[C@H](c4nn[n-]n4)C3)c12 ZINC000731854741 1075536344 /nfs/dbraw/zinc/53/63/44/1075536344.db2.gz CDZPUGKFUKKFRZ-INIZCTEOSA-N -1 1 404.434 1.671 20 0 HDADMM COc1ccc(C(=O)Nc2ccccc2C(=O)N2CCO[C@H](c3nn[n-]n3)C2)cc1 ZINC000731854847 1075536603 /nfs/dbraw/zinc/53/66/03/1075536603.db2.gz ILZRJVOXMRGYRH-KRWDZBQOSA-N -1 1 408.418 1.674 20 0 HDADMM O=C(c1cnn(-c2ccc(Br)cc2)c1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000731855491 1075537141 /nfs/dbraw/zinc/53/71/41/1075537141.db2.gz PGSUTNYHFGYXJG-CYBMUJFWSA-N -1 1 404.228 1.362 20 0 HDADMM CS(=O)(=O)CCN1CCC(NC(=O)c2ccc(Br)cc2[O-])CC1 ZINC000731838500 1075544445 /nfs/dbraw/zinc/54/44/45/1075544445.db2.gz JKMOBAUYPCRPMX-UHFFFAOYSA-N -1 1 405.314 1.394 20 0 HDADMM O=C(N1CCO[C@H](c2nn[n-]n2)C1)C1(c2ccc(Br)cc2)CCOCC1 ZINC000731880565 1075550896 /nfs/dbraw/zinc/55/08/96/1075550896.db2.gz PYEAKUBNPVJLQN-AWEZNQCLSA-N -1 1 422.283 1.611 20 0 HDADMM O=C(c1ccccc1)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000731879967 1075551690 /nfs/dbraw/zinc/55/16/90/1075551690.db2.gz CKTWYHRHXFVHHI-XWTMOSNGSA-N -1 1 410.478 1.573 20 0 HDADMM C=CC(=O)NCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000731883640 1075553373 /nfs/dbraw/zinc/55/33/73/1075553373.db2.gz QXRSMPWQXZBBNR-UHFFFAOYSA-N -1 1 403.460 1.528 20 0 HDADMM COc1cccc([C@@H](O)C(=O)OCC(=O)[N-]C(=O)c2ccc(OC(F)F)cc2)c1 ZINC000731913388 1075568371 /nfs/dbraw/zinc/56/83/71/1075568371.db2.gz ZQXKBBMNMYBOFC-MRXNPFEDSA-N -1 1 409.341 1.830 20 0 HDADMM O=C(C=Cc1ccc(I)o1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732092307 1075608382 /nfs/dbraw/zinc/60/83/82/1075608382.db2.gz XITQJWFCHSUZFG-FIFYQCSRSA-N -1 1 401.164 1.011 20 0 HDADMM C=CC(=O)NCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)c1 ZINC000732099613 1075612044 /nfs/dbraw/zinc/61/20/44/1075612044.db2.gz KWQHDBHIFPFUJE-UHFFFAOYSA-N -1 1 417.487 1.918 20 0 HDADMM C=CC(=O)NCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC)cc2)cc1 ZINC000732100657 1075612470 /nfs/dbraw/zinc/61/24/70/1075612470.db2.gz XJUXKWFTFNRQJH-UHFFFAOYSA-N -1 1 417.487 1.918 20 0 HDADMM CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732090825 1075624472 /nfs/dbraw/zinc/62/44/72/1075624472.db2.gz VPAKCJMFHRPLAF-KBPBESRZSA-N -1 1 424.914 1.305 20 0 HDADMM Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732090860 1075624482 /nfs/dbraw/zinc/62/44/82/1075624482.db2.gz OPHLZCJQJQTFLN-LJQANCHMSA-N -1 1 409.494 1.902 20 0 HDADMM CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732090395 1075624850 /nfs/dbraw/zinc/62/48/50/1075624850.db2.gz VVJBHODPAPWTMA-LSDHHAIUSA-N -1 1 402.455 1.236 20 0 HDADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCc3cncnc3N)c2)cc1 ZINC000535985687 1075625027 /nfs/dbraw/zinc/62/50/27/1075625027.db2.gz ONUTUZKZARMSJN-UHFFFAOYSA-N -1 1 413.459 1.798 20 0 HDADMM O=C([C@@H]1CCCN(c2ncccc2C(F)(F)F)C1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732090970 1075625828 /nfs/dbraw/zinc/62/58/28/1075625828.db2.gz WUFLCLJTPPPIBJ-YPMHNXCESA-N -1 1 411.388 1.430 20 0 HDADMM O=C(c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732091595 1075626603 /nfs/dbraw/zinc/62/66/03/1075626603.db2.gz KDHYVZDGVZTZIQ-MSOLQXFVSA-N -1 1 405.414 1.868 20 0 HDADMM O=C(NCc1nn[n-]n1)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000732157604 1075640767 /nfs/dbraw/zinc/64/07/67/1075640767.db2.gz ARYOUCDOQSGUBP-UHFFFAOYSA-N -1 1 418.866 1.535 20 0 HDADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCc3nnc(N)o3)cc2)cc1 ZINC000473277576 1075658424 /nfs/dbraw/zinc/65/84/24/1075658424.db2.gz FXVXKEUJNTZTHD-UHFFFAOYSA-N -1 1 417.447 1.781 20 0 HDADMM CN(C)[C@H](CNS(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2)Cc1ccccc1 ZINC000507022263 1075676634 /nfs/dbraw/zinc/67/66/34/1075676634.db2.gz NGVHKMPIGXEDDT-HNNXBMFYSA-N -1 1 420.487 1.607 20 0 HDADMM Cn1nc(Br)c2c1ncn(CC(=O)Nc1ccc([O-])c(Cl)c1)c2=O ZINC000732306679 1075694952 /nfs/dbraw/zinc/69/49/52/1075694952.db2.gz NFUYGXYYXRFWJD-UHFFFAOYSA-N -1 1 412.631 1.890 20 0 HDADMM Cc1onc(N)c1S(=O)(=O)[N-]CCc1ccc(I)s1 ZINC000567313136 1075727960 /nfs/dbraw/zinc/72/79/60/1075727960.db2.gz OWCVSFALGZYHFF-UHFFFAOYSA-N -1 1 413.262 1.752 20 0 HDADMM Cc1onc(N)c1S(=O)(=O)[N-]C[C@@H](CO)Cc1ccc(Br)cc1 ZINC000564341307 1075727998 /nfs/dbraw/zinc/72/79/98/1075727998.db2.gz KSSZRCWWNBHBMN-NSHDSACASA-N -1 1 404.286 1.457 20 0 HDADMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000567255161 1075730698 /nfs/dbraw/zinc/73/06/98/1075730698.db2.gz MPCOSLBZEJXTHQ-GFCCVEGCSA-N -1 1 416.406 1.641 20 0 HDADMM Nc1ccnc(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)n1 ZINC000475439829 1075746767 /nfs/dbraw/zinc/74/67/67/1075746767.db2.gz MBOQQPOFWJRRNU-UHFFFAOYSA-N -1 1 401.423 1.929 20 0 HDADMM Cc1c(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)nnn1-c1ccc2c(c1)OCCO2 ZINC000509260877 1075748999 /nfs/dbraw/zinc/74/89/99/1075748999.db2.gz XIUJDJWCHQNJGM-UHFFFAOYSA-N -1 1 412.406 1.455 20 0 HDADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CCCN1C(=O)CCC1=O ZINC000509448161 1075770413 /nfs/dbraw/zinc/77/04/13/1075770413.db2.gz DFLRNDUUQUVBRN-UHFFFAOYSA-N -1 1 423.274 1.597 20 0 HDADMM O=C(CCNC(=O)Cn1c(=S)[n-]nc1-c1cccs1)NCc1cccnc1 ZINC000142928841 1075799789 /nfs/dbraw/zinc/79/97/89/1075799789.db2.gz PLZRMOBCTQDTQD-UHFFFAOYSA-N -1 1 402.505 1.887 20 0 HDADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@]3(CO)CCOC3)cc2)cc1 ZINC000543603876 1075836759 /nfs/dbraw/zinc/83/67/59/1075836759.db2.gz XRKMZXNNIYZWPV-IBGZPJMESA-N -1 1 406.460 1.377 20 0 HDADMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N1CC(n2cncn2)C1 ZINC000732760033 1075846377 /nfs/dbraw/zinc/84/63/77/1075846377.db2.gz UCZOIGYACRNLNL-UHFFFAOYSA-N -1 1 415.450 1.844 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N(C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732788931 1075857798 /nfs/dbraw/zinc/85/77/98/1075857798.db2.gz VBXYBDZLSCATHK-ZDUSSCGKSA-N -1 1 413.400 1.606 20 0 HDADMM CSc1nc(C)c(CCC(=O)N(C)[C@H]2CCN(CC(F)(F)F)C2=O)c(=O)[n-]1 ZINC000732784915 1075868556 /nfs/dbraw/zinc/86/85/56/1075868556.db2.gz MMSFMSZBRZQYMB-NSHDSACASA-N -1 1 406.430 1.767 20 0 HDADMM CN1C(=O)CC[C@@H]1C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000501266922 1075881215 /nfs/dbraw/zinc/88/12/15/1075881215.db2.gz YUEIZUYJSPKPKD-QGZVFWFLSA-N -1 1 405.451 1.864 20 0 HDADMM CCOC(=O)[C@@H](CO)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000611288560 1075893926 /nfs/dbraw/zinc/89/39/26/1075893926.db2.gz XEMSWJWJEPTBLY-QGZVFWFLSA-N -1 1 424.450 1.589 20 0 HDADMM CC(C)(C)OC(=O)CCCCNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000611343042 1075912148 /nfs/dbraw/zinc/91/21/48/1075912148.db2.gz NONMZCGQAGSKIO-UHFFFAOYSA-N -1 1 424.516 1.988 20 0 HDADMM CCOC(=O)[C@@]1([N-]S(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)CCc2ccccc21 ZINC000611374428 1075916257 /nfs/dbraw/zinc/91/62/57/1075916257.db2.gz GLMCPPOTNYZUFW-HXUWFJFHSA-N -1 1 419.503 1.410 20 0 HDADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3C(=O)CCC3=O)c(C)c2)cc1C(N)=O ZINC000732951093 1075917588 /nfs/dbraw/zinc/91/75/88/1075917588.db2.gz FBBJKRQKBVYWLD-UHFFFAOYSA-N -1 1 401.444 1.857 20 0 HDADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)NC[C@@H](O)[C@H](C)O)c([O-])c2)c1 ZINC001168766314 1075941346 /nfs/dbraw/zinc/94/13/46/1075941346.db2.gz USDMVOJAFKUNCH-BBATYDOGSA-N -1 1 404.419 1.133 20 0 HDADMM O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1C[C@@H](c2ccccc2F)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001079304212 1075969032 /nfs/dbraw/zinc/96/90/32/1075969032.db2.gz YRXAQAJFLKNQPN-CLAZTRKBSA-N -1 1 413.453 1.157 20 0 HDADMM Cc1cc(C(N)=O)ccc1[N-]S(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000733122085 1075978233 /nfs/dbraw/zinc/97/82/33/1075978233.db2.gz SYRFISCCWFMBEG-UHFFFAOYSA-N -1 1 423.516 1.679 20 0 HDADMM COC(=O)c1cc(S(=O)(=O)[N-]Cc2ccccc2CO)c(Br)o1 ZINC000751248807 1075979527 /nfs/dbraw/zinc/97/95/27/1075979527.db2.gz PGNWBPVHMGCVOK-UHFFFAOYSA-N -1 1 404.238 1.800 20 0 HDADMM Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)CCn2cc[n-]c(=O)c2=O)c1C ZINC000733147527 1075983121 /nfs/dbraw/zinc/98/31/21/1075983121.db2.gz QYTLELAATDLECX-HNNXBMFYSA-N -1 1 402.476 1.084 20 0 HDADMM Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)CCn2cc[n-]c(=O)c2=O)c1C ZINC000733147528 1075983150 /nfs/dbraw/zinc/98/31/50/1075983150.db2.gz QYTLELAATDLECX-OAHLLOKOSA-N -1 1 402.476 1.084 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000733155563 1075988830 /nfs/dbraw/zinc/98/88/30/1075988830.db2.gz TWLKHQHQPPAXRA-SFHVURJKSA-N -1 1 406.442 1.293 20 0 HDADMM COC(=O)[C@@H](CNC(=O)CCn1cc[n-]c(=O)c1=O)Cc1ccc2ccccc2c1 ZINC000733178428 1076009351 /nfs/dbraw/zinc/00/93/51/1076009351.db2.gz RDZCBBZKFDUGTR-GOSISDBHSA-N -1 1 409.442 1.228 20 0 HDADMM C[C@@H](O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OCCn3cncn3)cc2)cc1 ZINC000727181045 1076073522 /nfs/dbraw/zinc/07/35/22/1076073522.db2.gz XSNDPSOSIPIBII-CQSZACIVSA-N -1 1 416.459 1.989 20 0 HDADMM Cc1ccccc1S(=O)(=O)NNc1ccc(S(=O)(=O)[N-]c2ccccn2)cn1 ZINC000727355157 1076097969 /nfs/dbraw/zinc/09/79/69/1076097969.db2.gz KYRNEFPBHRHPHR-UHFFFAOYSA-N -1 1 419.488 1.891 20 0 HDADMM Cc1ccccc1S(=O)(=O)NN=c1ccc(S(=O)(=O)[N-]c2ccccn2)c[nH]1 ZINC000727355157 1076097974 /nfs/dbraw/zinc/09/79/74/1076097974.db2.gz KYRNEFPBHRHPHR-UHFFFAOYSA-N -1 1 419.488 1.891 20 0 HDADMM COC(=O)C[C@@H]([N-]S(=O)(=O)/C=C/c1ccccc1Br)C(=O)OC ZINC000727442933 1076122767 /nfs/dbraw/zinc/12/27/67/1076122767.db2.gz HKJHJWGHAAGUIV-ABZNLYFFSA-N -1 1 406.254 1.444 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC000733884616 1076239179 /nfs/dbraw/zinc/23/91/79/1076239179.db2.gz WXYIKFNGKZXXML-UHFFFAOYSA-N -1 1 406.446 1.847 20 0 HDADMM CCn1cc(S(=O)(=O)Nc2cccc(N3C(=O)CN(C)C3=O)c2)cc1C(=O)[O-] ZINC000534317601 1076247182 /nfs/dbraw/zinc/24/71/82/1076247182.db2.gz CBUWESAYAAVQDU-UHFFFAOYSA-N -1 1 406.420 1.405 20 0 HDADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H](O)c2ccccc2Br)o1 ZINC001299319210 1076248577 /nfs/dbraw/zinc/24/85/77/1076248577.db2.gz RJLFOIHYBCDSFD-NSHDSACASA-N -1 1 403.254 1.414 20 0 HDADMM C[N-]S(=O)(=O)c1ccc(C(=O)Oc2ccc(NC(=O)c3cnn(C)c3)cc2)o1 ZINC000727807921 1076260077 /nfs/dbraw/zinc/26/00/77/1076260077.db2.gz FCBSEBYOECOQSB-UHFFFAOYSA-N -1 1 404.404 1.393 20 0 HDADMM COc1cc(CN(C(=O)CCn2cc[n-]c(=O)c2=O)C2CC2)ccc1OC(F)F ZINC000727848578 1076270542 /nfs/dbraw/zinc/27/05/42/1076270542.db2.gz LKEVDHKBMNZKQX-UHFFFAOYSA-N -1 1 409.389 1.728 20 0 HDADMM COC(=O)C[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)c1ccc(Br)cc1 ZINC000727849462 1076270845 /nfs/dbraw/zinc/27/08/45/1076270845.db2.gz ZVDOTZOLJRZSRR-CYBMUJFWSA-N -1 1 424.251 1.110 20 0 HDADMM COC(=O)c1cccc(Cc2cnc(NC(=O)CCn3cc[n-]c(=O)c3=O)s2)c1 ZINC000727853257 1076272315 /nfs/dbraw/zinc/27/23/15/1076272315.db2.gz GQHWPQQRHOMTDA-UHFFFAOYSA-N -1 1 414.443 1.399 20 0 HDADMM CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCN(C(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC000727853899 1076273144 /nfs/dbraw/zinc/27/31/44/1076273144.db2.gz SUVHDWGYSSBNHY-HOTGVXAUSA-N -1 1 420.510 1.565 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC000727856767 1076273670 /nfs/dbraw/zinc/27/36/70/1076273670.db2.gz HFNXMKIAKQSHMD-KRWDZBQOSA-N -1 1 416.865 1.555 20 0 HDADMM Cc1ccc(NC(=O)N2CCN(C(=O)CCn3cc[n-]c(=O)c3=O)CC2)cc1Cl ZINC000728151714 1076347946 /nfs/dbraw/zinc/34/79/46/1076347946.db2.gz CHPTVUOMPIJIKO-UHFFFAOYSA-N -1 1 419.869 1.265 20 0 HDADMM COc1cc2c(cc1OC)CN(S(=O)(=O)[N-]C(=O)c1cccc3cn[nH]c31)CC2 ZINC000729908682 1076391372 /nfs/dbraw/zinc/39/13/72/1076391372.db2.gz HTTGADFHISZCKR-UHFFFAOYSA-N -1 1 416.459 1.613 20 0 HDADMM CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)OCC(=O)[N-]C(=O)c1ccc(OC)cc1 ZINC000730325631 1076541253 /nfs/dbraw/zinc/54/12/53/1076541253.db2.gz OFNNCBFAQFRHST-RBBXRFMQSA-N -1 1 420.487 1.753 20 0 HDADMM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000730518219 1076584667 /nfs/dbraw/zinc/58/46/67/1076584667.db2.gz HDRVTNIVGVNLTG-UHFFFAOYSA-N -1 1 400.870 1.505 20 0 HDADMM CCOC(=O)C1CCN(C(=O)c2ccc([N-]S(=O)(=O)C[C@@H](C)OC)cc2)CC1 ZINC000509089338 1073506353 /nfs/dbraw/zinc/50/63/53/1073506353.db2.gz JHVUVBYXOKCPRY-CQSZACIVSA-N -1 1 412.508 1.879 20 0 HDADMM C[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cc(F)c(Cl)cc1Cl ZINC000015330315 1073603785 /nfs/dbraw/zinc/60/37/85/1073603785.db2.gz DLBZEWJIPFBHHK-ZETCQYMHSA-N -1 1 410.254 1.569 20 0 HDADMM CO[C@@H]1C[C@H](C(=O)N=c2ccnc3n(C)[n-]cc2-3)N(C(=O)OCc2ccccc2)C1 ZINC001128532510 1073650804 /nfs/dbraw/zinc/65/08/04/1073650804.db2.gz QTKOUFMJUNBVOY-CRAIPNDOSA-N -1 1 409.446 1.706 20 0 HDADMM CCOc1ccc(-n2ncc(C(=O)N[C@H](c3nn[n-]n3)c3ccccc3)c2C)nn1 ZINC000673756213 1073690704 /nfs/dbraw/zinc/69/07/04/1073690704.db2.gz OMRHLSVUFCVCKF-KRWDZBQOSA-N -1 1 405.422 1.402 20 0 HDADMM CCOc1ccc(-n2ncc(C(=O)N[C@@H](c3nn[n-]n3)c3ccccc3)c2C)nn1 ZINC000673756399 1073690726 /nfs/dbraw/zinc/69/07/26/1073690726.db2.gz OMRHLSVUFCVCKF-QGZVFWFLSA-N -1 1 405.422 1.402 20 0 HDADMM COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2cccc(NC(N)=O)c2)c1 ZINC000029322491 1073793481 /nfs/dbraw/zinc/79/34/81/1073793481.db2.gz FQMJJTBNYLRXOP-UHFFFAOYSA-N -1 1 407.404 1.551 20 0 HDADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCc2cn3c(n2)SCC3)c(F)c1 ZINC000466549904 1073855621 /nfs/dbraw/zinc/85/56/21/1073855621.db2.gz BBDDSFWICFBJCE-UHFFFAOYSA-N -1 1 420.513 1.020 20 0 HDADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3cn4nccc4nc3C)c2)n1 ZINC001128619596 1074186142 /nfs/dbraw/zinc/18/61/42/1074186142.db2.gz AXKSWAAPFDOEHN-UHFFFAOYSA-N -1 1 405.418 1.930 20 0 HDADMM Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cn1 ZINC000509227268 1074405263 /nfs/dbraw/zinc/40/52/63/1074405263.db2.gz YNELHTHYWWQVFZ-UHFFFAOYSA-N -1 1 405.461 1.782 20 0 HDADMM NC(=O)[C@H]1CCCN(Cc2ccccc2[N-]S(=O)(=O)c2cccc3c2OCO3)C1 ZINC000509234091 1074509056 /nfs/dbraw/zinc/50/90/56/1074509056.db2.gz MGKKBRAOCIHPMG-HNNXBMFYSA-N -1 1 417.487 1.913 20 0 HDADMM CC(=O)N[C@](C)(C(=O)N1CCC([C@@H]2OCC[C@H]2[N-]C(=O)C(F)(F)F)CC1)C(C)C ZINC001128872251 1074605634 /nfs/dbraw/zinc/60/56/34/1074605634.db2.gz LKZXVCOCPGXCRR-VKJFTORMSA-N -1 1 421.460 1.612 20 0 HDADMM CCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O)c1nn[n-]n1 ZINC000675143968 1074743300 /nfs/dbraw/zinc/74/33/00/1074743300.db2.gz HFGSNBQHRQPWOJ-MRXNPFEDSA-N -1 1 405.418 1.662 20 0 HDADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCC(C)(C)[C@@H]1CCCCO1 ZINC000675169202 1074750749 /nfs/dbraw/zinc/75/07/49/1074750749.db2.gz MQGTZDHWVNOWID-KRWDZBQOSA-N -1 1 406.527 1.971 20 0 HDADMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(CCc3ccccc3)[nH]n2)cc1 ZINC000675547112 1075205902 /nfs/dbraw/zinc/20/59/02/1075205902.db2.gz MWVZKRFYFVVJDG-UHFFFAOYSA-N -1 1 420.516 1.904 20 0 HDADMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)S(=O)(=O)CC3)cc1NC(C)=O ZINC000675629691 1075243909 /nfs/dbraw/zinc/24/39/09/1075243909.db2.gz XEWKBVAVFSBNLR-UHFFFAOYSA-N -1 1 410.473 1.784 20 0 HDADMM COc1ccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)cc1OC ZINC000026163863 1075278292 /nfs/dbraw/zinc/27/82/92/1075278292.db2.gz VUBQYILFXLPBJJ-UHFFFAOYSA-N -1 1 412.489 1.945 20 0 HDADMM O=C(COC(=O)c1ccccc1S(=O)(=O)CC(F)F)[N-]C(=O)c1ccccc1 ZINC000731269942 1075300577 /nfs/dbraw/zinc/30/05/77/1075300577.db2.gz JCFKOMFSMGPBIW-UHFFFAOYSA-N -1 1 411.382 1.839 20 0 HDADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)[C@H]2CC(=O)N(C3CCC(C)CC3)C2)cc1 ZINC000731383823 1075324929 /nfs/dbraw/zinc/32/49/29/1075324929.db2.gz SIDAPCGFWHTIET-WIHSUSGWSA-N -1 1 416.474 1.922 20 0 HDADMM CC(C)Oc1cncc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2[O-])c1 ZINC000676032117 1075330394 /nfs/dbraw/zinc/33/03/94/1075330394.db2.gz GCNBHSHBBKFDGC-UHFFFAOYSA-N -1 1 421.475 1.848 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)O[C@H](C)C(=O)Nc1ccnn1C(C)C ZINC000731447088 1075342774 /nfs/dbraw/zinc/34/27/74/1075342774.db2.gz FGLWZAUBDQMXRO-CYBMUJFWSA-N -1 1 400.439 1.942 20 0 HDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)O[C@@H](C)C(=O)NCc1ccc(F)cc1 ZINC000731447243 1075344138 /nfs/dbraw/zinc/34/41/38/1075344138.db2.gz SFFBEPDFDWTSQC-ZDUSSCGKSA-N -1 1 400.410 1.981 20 0 HDADMM COc1ccc(C([O-])=C2[C@H](c3csnn3)NC(=S)N[C@]2(O)C(F)(F)F)cc1 ZINC000731427262 1075347114 /nfs/dbraw/zinc/34/71/14/1075347114.db2.gz IFDQIPJHWFZZPT-COPLHBTASA-N -1 1 418.422 1.816 20 0 HDADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ncn(C)n3)cc2)cc1 ZINC000569517591 1075372572 /nfs/dbraw/zinc/37/25/72/1075372572.db2.gz YEICFMMUNBMCRQ-UHFFFAOYSA-N -1 1 401.448 2.267 20 0 HDADMM Cn1c2ccccc2sc1=N[N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1F ZINC000731594051 1075403301 /nfs/dbraw/zinc/40/33/01/1075403301.db2.gz CENIAQQKHPMRIY-UHFFFAOYSA-N -1 1 415.493 1.577 20 0 HDADMM O=C1NC(=O)c2cc(S(=O)(=O)[N-]c3cccc(CN4CCOC4=O)c3)ccc21 ZINC000731596810 1075405271 /nfs/dbraw/zinc/40/52/71/1075405271.db2.gz YCMRBNFPEBQWAH-UHFFFAOYSA-N -1 1 401.400 1.323 20 0 HDADMM COc1cc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)sc1S(N)(=O)=O ZINC000676188045 1075417020 /nfs/dbraw/zinc/41/70/20/1075417020.db2.gz YUACZFSVIDHYKM-UHFFFAOYSA-N -1 1 424.500 1.845 20 0 HDADMM Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000676189030 1075418549 /nfs/dbraw/zinc/41/85/49/1075418549.db2.gz ZNMHHJDXKPSDTD-UHFFFAOYSA-N -1 1 406.460 1.985 20 0 HDADMM O=C([O-])C[C@@H]1CCCN(CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)C1 ZINC000676232633 1075449382 /nfs/dbraw/zinc/44/93/82/1075449382.db2.gz GDNVYYRLFBSRPC-HNNXBMFYSA-N -1 1 409.508 1.596 20 0 HDADMM C[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000676233767 1075449890 /nfs/dbraw/zinc/44/98/90/1075449890.db2.gz SXOAEWITVSGZFN-QWRGUYRKSA-N -1 1 401.385 1.734 20 0 HDADMM C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@H]1CN(C)CCO1 ZINC000676257437 1075453224 /nfs/dbraw/zinc/45/32/24/1075453224.db2.gz VAACVLRDLBNELV-HNAYVOBHSA-N -1 1 403.504 1.936 20 0 HDADMM Cc1c(NS(=O)(=O)c2csc(C(=O)[O-])c2)ccc(F)c1N1C(=O)CNC1=O ZINC000509392422 1075460270 /nfs/dbraw/zinc/46/02/70/1075460270.db2.gz QHYQEWZDIMNJDK-UHFFFAOYSA-N -1 1 413.408 1.751 20 0 HDADMM Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000731853322 1075535122 /nfs/dbraw/zinc/53/51/22/1075535122.db2.gz IXJLZQIKJNQIEM-CQSZACIVSA-N -1 1 401.858 1.928 20 0 HDADMM Cc1ccc(C2N=NC(=S)N2CCC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)cc1 ZINC000731854735 1075536402 /nfs/dbraw/zinc/53/64/02/1075536402.db2.gz BVDHPFQOJZEIHI-CYBMUJFWSA-N -1 1 400.468 1.046 20 0 HDADMM Cc1cccn2cc(COc3ccccc3C(=O)N3CCO[C@H](c4nn[n-]n4)C3)nc12 ZINC000731855022 1075537584 /nfs/dbraw/zinc/53/75/84/1075537584.db2.gz AYIGPQFAUZNOBH-SFHVURJKSA-N -1 1 419.445 1.949 20 0 HDADMM O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000731855169 1075537643 /nfs/dbraw/zinc/53/76/43/1075537643.db2.gz UKSWHPYGYNQORJ-NSHDSACASA-N -1 1 406.859 1.000 20 0 HDADMM CCNC(=O)N1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000676392290 1075539981 /nfs/dbraw/zinc/53/99/81/1075539981.db2.gz RQFOQLKUISRDAD-UHFFFAOYSA-N -1 1 416.503 1.975 20 0 HDADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC3(C(N)=O)CCOCC3)cc2)cc1 ZINC000676398845 1075543501 /nfs/dbraw/zinc/54/35/01/1075543501.db2.gz JOTCUWMUZNPNHL-UHFFFAOYSA-N -1 1 417.487 1.560 20 0 HDADMM NC(=O)C1(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)CCOCC1 ZINC000676398948 1075543521 /nfs/dbraw/zinc/54/35/21/1075543521.db2.gz ORCHFVWNWVFAJY-UHFFFAOYSA-N -1 1 421.450 1.391 20 0 HDADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H](C)[C@@H](OC)C2)c(OC)c1 ZINC000466730574 1075551195 /nfs/dbraw/zinc/55/11/95/1075551195.db2.gz GLHVQHGVZGSCLF-BBRMVZONSA-N -1 1 420.553 1.892 20 0 HDADMM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(CCS(C)(=O)=O)cc2)cc1 ZINC000676559729 1075601117 /nfs/dbraw/zinc/60/11/17/1075601117.db2.gz UKQZJWFLXDFZCC-UHFFFAOYSA-N -1 1 424.544 1.753 20 0 HDADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(S(N)(=O)=O)ccc2F)c(F)cc1F ZINC000732046586 1075606725 /nfs/dbraw/zinc/60/67/25/1075606725.db2.gz QKNRCLOHLUQQAI-UHFFFAOYSA-N -1 1 424.378 1.339 20 0 HDADMM COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732092014 1075608849 /nfs/dbraw/zinc/60/88/49/1075608849.db2.gz VDLWZEBAFBHRLQ-DZGCQCFKSA-N -1 1 420.857 1.066 20 0 HDADMM O=C(N1CCO[C@@H](c2nn[n-]n2)C1)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000732088717 1075621824 /nfs/dbraw/zinc/62/18/24/1075621824.db2.gz GFNUYONTULVPTD-BZNIZROVSA-N -1 1 406.855 1.382 20 0 HDADMM O=C(c1[nH]nc(-c2ccccc2)c1Br)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732089490 1075622885 /nfs/dbraw/zinc/62/28/85/1075622885.db2.gz NPBLLONUUSZUGP-SNVBAGLBSA-N -1 1 404.228 1.566 20 0 HDADMM O=C(c1ccc(=O)n(Cc2ccccc2Cl)c1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732089687 1075622900 /nfs/dbraw/zinc/62/29/00/1075622900.db2.gz AUUXOJJOCOEPAV-OAHLLOKOSA-N -1 1 400.826 1.277 20 0 HDADMM CC(C)(C)OC(=O)N1[C@H](C(=O)N2CCO[C@H](c3nn[n-]n3)C2)C[C@@H]2CCCC[C@@H]21 ZINC000732089551 1075623073 /nfs/dbraw/zinc/62/30/73/1075623073.db2.gz JWTIHIRBPHTODA-AJNGGQMLSA-N -1 1 406.487 1.668 20 0 HDADMM O=C(C(=Cc1ccco1)n1nnnc1-c1ccccc1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732090219 1075625156 /nfs/dbraw/zinc/62/51/56/1075625156.db2.gz PRVAWYWRVNHOQU-RBFDBLARSA-N -1 1 419.405 1.044 20 0 HDADMM Cc1sc2nc(C)nc(SCC(=O)N3CCO[C@@H](c4nn[n-]n4)C3)c2c1C ZINC000732091682 1075625800 /nfs/dbraw/zinc/62/58/00/1075625800.db2.gz MUCVUXLGAFRGOR-LLVKDONJSA-N -1 1 405.509 1.822 20 0 HDADMM Cc1ccc(C(=O)N[C@H](CC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)c2ccccc2)cc1 ZINC000732091675 1075625820 /nfs/dbraw/zinc/62/58/20/1075625820.db2.gz MQJKQYITOOYVFM-RTBURBONSA-N -1 1 420.473 1.969 20 0 HDADMM O=C(OCc1ccccc1)N1CCCC[C@@H]1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732091496 1075627108 /nfs/dbraw/zinc/62/71/08/1075627108.db2.gz GPRJPMSKJPOHHC-HZPDHXFCSA-N -1 1 400.439 1.291 20 0 HDADMM COc1cccc([C@@H](O)CNC(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)c1 ZINC000732295307 1075691862 /nfs/dbraw/zinc/69/18/62/1075691862.db2.gz CLYGRKZQUHLTAK-SFHVURJKSA-N -1 1 416.478 1.118 20 0 HDADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCc3nnc(N)o3)c2)c1 ZINC000556980648 1075715693 /nfs/dbraw/zinc/71/56/93/1075715693.db2.gz RVZWONPLLCGFHY-UHFFFAOYSA-N -1 1 401.448 1.999 20 0 HDADMM COc1cc(C)ccc1CNC(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC000466638665 1075716952 /nfs/dbraw/zinc/71/69/52/1075716952.db2.gz FHDWHAPQHPDDIT-UHFFFAOYSA-N -1 1 400.479 1.893 20 0 HDADMM Cc1onc(N)c1S(=O)(=O)[N-]Cc1ccc(OCCOc2ccccc2)nc1 ZINC000519034074 1075728937 /nfs/dbraw/zinc/72/89/37/1075728937.db2.gz HAHWTUCXNYXLQE-UHFFFAOYSA-N -1 1 404.448 1.897 20 0 HDADMM Nc1nnc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)o1 ZINC000506363744 1075741024 /nfs/dbraw/zinc/74/10/24/1075741024.db2.gz NHJLXHAEGMILAU-UHFFFAOYSA-N -1 1 409.374 1.661 20 0 HDADMM Nc1nnc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)o1 ZINC000582921062 1075741064 /nfs/dbraw/zinc/74/10/64/1075741064.db2.gz JCSOQHVQAQHOOI-UHFFFAOYSA-N -1 1 407.839 2.036 20 0 HDADMM CS(=O)(=O)Nc1cc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)ccc1Cl ZINC000509259605 1075745292 /nfs/dbraw/zinc/74/52/92/1075745292.db2.gz HDUGFUYOIHRHHN-UHFFFAOYSA-N -1 1 400.844 1.820 20 0 HDADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCCc3nc(N)no3)cc2)cc1 ZINC000461543645 1075756263 /nfs/dbraw/zinc/75/62/63/1075756263.db2.gz JAHMFTRCBZDGNW-UHFFFAOYSA-N -1 1 401.448 1.734 20 0 HDADMM Cc1ccc(S(=O)(=O)NCCC(=O)N2CCC(c3n[n-]c(=O)o3)CC2)cc1C ZINC000509264329 1075760913 /nfs/dbraw/zinc/76/09/13/1075760913.db2.gz QPQZUFHMECXEBI-UHFFFAOYSA-N -1 1 408.480 1.467 20 0 HDADMM Cn1cc([C@H]2[C@@H](C(=O)N3CCC(c4n[n-]c(=O)o4)CC3)CC(=O)N2C(C)(C)C)cn1 ZINC000509274733 1075800149 /nfs/dbraw/zinc/80/01/49/1075800149.db2.gz ASGIJEVUYLXFEA-HOCLYGCPSA-N -1 1 416.482 1.603 20 0 HDADMM CCC1(CC)NC(=O)N(CC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)C1=O ZINC000042061425 1075801329 /nfs/dbraw/zinc/80/13/29/1075801329.db2.gz MSHNEPPKWRKRCJ-UHFFFAOYSA-N -1 1 401.463 1.924 20 0 HDADMM O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000509278439 1075811029 /nfs/dbraw/zinc/81/10/29/1075811029.db2.gz HEPCEILIEWAARR-UHFFFAOYSA-N -1 1 420.491 1.582 20 0 HDADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)co1 ZINC000535984759 1075844581 /nfs/dbraw/zinc/84/45/81/1075844581.db2.gz KATMAIBFYKKRKI-UHFFFAOYSA-N -1 1 418.431 1.910 20 0 HDADMM COc1ccc(C(=O)N[C@H](C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)C(C)C)cc1 ZINC000509294884 1075864584 /nfs/dbraw/zinc/86/45/84/1075864584.db2.gz DAKOESPJRPTZHE-INIZCTEOSA-N -1 1 402.451 1.944 20 0 HDADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000017637697 1075894565 /nfs/dbraw/zinc/89/45/65/1075894565.db2.gz OSRBUPKTUPKODC-HNNXBMFYSA-N -1 1 408.501 1.713 20 0 HDADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCCCS(=O)(=O)c2cccc(C)c2)o1 ZINC000766186726 1075924158 /nfs/dbraw/zinc/92/41/58/1075924158.db2.gz IIWSRXAPFZRCDY-UHFFFAOYSA-N -1 1 401.462 1.517 20 0 HDADMM CSCC[C@H](C(=O)N1CCC[C@@H](c2nn[n-]n2)C1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000611404167 1075926052 /nfs/dbraw/zinc/92/60/52/1075926052.db2.gz ICDHPLIELNQMPH-APIJFGDWSA-N -1 1 420.539 1.203 20 0 HDADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)NC[C@H](O)[C@H](C)O)c([O-])c2)c1 ZINC001168766315 1075941301 /nfs/dbraw/zinc/94/13/01/1075941301.db2.gz USDMVOJAFKUNCH-VOJFVSQTSA-N -1 1 404.419 1.133 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)Nc1cc(F)c(I)c(F)c1 ZINC000733144364 1075975825 /nfs/dbraw/zinc/97/58/25/1075975825.db2.gz IIYDXBVKJYDPNI-UHFFFAOYSA-N -1 1 421.141 1.448 20 0 HDADMM COc1c(Br)cc(Cl)cc1NC(=O)CCn1cc[n-]c(=O)c1=O ZINC000733128014 1075979308 /nfs/dbraw/zinc/97/93/08/1075979308.db2.gz KXZOUPBDHRCUKV-UHFFFAOYSA-N -1 1 402.632 1.990 20 0 HDADMM NS(=O)(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)c1 ZINC000751269919 1075989373 /nfs/dbraw/zinc/98/93/73/1075989373.db2.gz IZGKLJKWGDWWRT-UHFFFAOYSA-N -1 1 400.240 1.976 20 0 HDADMM CCOc1cccc2cc([C@@H](C)[N-]S(=O)(=O)c3cn(C)c(=O)n(C)c3=O)oc21 ZINC000052794880 1076028441 /nfs/dbraw/zinc/02/84/41/1076028441.db2.gz OKJCFZKOEUXZCF-LLVKDONJSA-N -1 1 407.448 1.268 20 0 HDADMM O=C(CCCNC(=O)c1ccco1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000021006374 1076060748 /nfs/dbraw/zinc/06/07/48/1076060748.db2.gz DJSBHSBJFZJLOZ-UHFFFAOYSA-N -1 1 421.475 1.918 20 0 HDADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)Nc1nnc([C@@H]2CCCO2)o1 ZINC000727514800 1076156392 /nfs/dbraw/zinc/15/63/92/1076156392.db2.gz ZQKLVNIDFLUYCX-ZDUSSCGKSA-N -1 1 424.435 1.478 20 0 HDADMM CN1Cc2ccccc2[C@H](NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000534530703 1076247916 /nfs/dbraw/zinc/24/79/16/1076247916.db2.gz HREVLIIYFDKQFF-MRXNPFEDSA-N -1 1 413.496 1.662 20 0 HDADMM CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(NS(N)(=O)=O)c2)cc1 ZINC000727796515 1076257318 /nfs/dbraw/zinc/25/73/18/1076257318.db2.gz AOXAYMIUSHXECZ-UHFFFAOYSA-N -1 1 413.477 1.670 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000727849316 1076270871 /nfs/dbraw/zinc/27/08/71/1076270871.db2.gz DUILTMFNXPEBQZ-IUCAKERBSA-N -1 1 401.307 1.952 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1 ZINC000727851099 1076271472 /nfs/dbraw/zinc/27/14/72/1076271472.db2.gz GHBJFCMOILYRHD-GOSISDBHSA-N -1 1 419.441 1.609 20 0 HDADMM COc1cc([C@@H](C)NC(=O)CCn2cc[n-]c(=O)c2=O)ccc1OCc1ccncc1 ZINC000727851701 1076271481 /nfs/dbraw/zinc/27/14/81/1076271481.db2.gz OAPMXDSANWSPHQ-OAHLLOKOSA-N -1 1 424.457 1.787 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000727852113 1076271731 /nfs/dbraw/zinc/27/17/31/1076271731.db2.gz RQQXIAUXTQZGSW-AWEZNQCLSA-N -1 1 408.252 1.289 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000727853618 1076272118 /nfs/dbraw/zinc/27/21/18/1076272118.db2.gz OVVLJNWNKYGUKO-AWEZNQCLSA-N -1 1 413.409 1.522 20 0 HDADMM CCN(CC)C(=O)Cn1ccc2cc(NC(=O)CCn3cc[n-]c(=O)c3=O)ccc21 ZINC000727853881 1076272707 /nfs/dbraw/zinc/27/27/07/1076272707.db2.gz SHRHUIPCUFGGGW-UHFFFAOYSA-N -1 1 411.462 1.389 20 0 HDADMM CC[S@@](=O)CCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000733967817 1076278286 /nfs/dbraw/zinc/27/82/86/1076278286.db2.gz YWLSCPSMHDHOBR-AREMUKBSSA-N -1 1 410.517 1.994 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000733987606 1076284710 /nfs/dbraw/zinc/28/47/10/1076284710.db2.gz XBWRJOJFLDQWFH-GFCCVEGCSA-N -1 1 412.368 1.220 20 0 HDADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)CNC(=O)Cc2ccccc2)c1 ZINC000028837349 1076362018 /nfs/dbraw/zinc/36/20/18/1076362018.db2.gz GSDRQMLJNLEGFM-UHFFFAOYSA-N -1 1 419.503 1.720 20 0 HDADMM Cn1c(C[C@H]2CCS(=O)(=O)C2)nnc1SCc1cc(=O)oc2cc([O-])ccc12 ZINC000729993612 1076409387 /nfs/dbraw/zinc/40/93/87/1076409387.db2.gz DTJRDOWAAPPUPD-LLVKDONJSA-N -1 1 421.500 1.897 20 0 HDADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCC[S@](C)=O)cc2)cc1 ZINC000730093258 1076448672 /nfs/dbraw/zinc/44/86/72/1076448672.db2.gz KGLCTWIANOYBAX-SANMLTNESA-N -1 1 410.517 1.994 20 0 HDADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)o1 ZINC000730243689 1076493558 /nfs/dbraw/zinc/49/35/58/1076493558.db2.gz GRWMECBDJPGUBJ-LBPRGKRZSA-N -1 1 415.512 1.953 20 0 HDADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)o1 ZINC000730251721 1076497689 /nfs/dbraw/zinc/49/76/89/1076497689.db2.gz JHMUNSIRVXOJAJ-GFCCVEGCSA-N -1 1 401.485 1.565 20 0 HDADMM O=C(COC(=O)c1ccc(Cl)c(Cl)c1[O-])N1CCN(C(=O)C2CC2)CC1 ZINC000730360660 1076550899 /nfs/dbraw/zinc/55/08/99/1076550899.db2.gz LRBCAKUUOBYGHU-UHFFFAOYSA-N -1 1 401.246 1.937 20 0 HDADMM CC(=O)NCCc1ccc(C(=O)COC(=O)c2sccc2[N-]S(C)(=O)=O)cc1 ZINC000730601844 1076612281 /nfs/dbraw/zinc/61/22/81/1076612281.db2.gz AKZUCLRUCLPMOB-UHFFFAOYSA-N -1 1 424.500 1.838 20 0 HDADMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)o1 ZINC000730811370 1076667117 /nfs/dbraw/zinc/66/71/17/1076667117.db2.gz FYBIMLXWHVXKMA-GFCCVEGCSA-N -1 1 402.469 1.992 20 0 HDADMM COc1cc(C(=O)N[C@H](C(=O)[O-])c2ccccc2)cc(NS(C)(=O)=O)c1OC ZINC000426705858 939144062 /nfs/dbraw/zinc/14/40/62/939144062.db2.gz QHTRJEVAYRSNOW-HNNXBMFYSA-N -1 1 408.432 1.631 20 0 HDADMM Cn1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)c2ccc(Cl)cc2)c(=O)n(C)c1=O ZINC000015334582 1073611171 /nfs/dbraw/zinc/61/11/71/1073611171.db2.gz LPFHPHOSUOOGKM-KRWDZBQOSA-N -1 1 419.890 1.805 20 0 HDADMM Cn1cc(S(=O)(=O)[N-][C@H](c2ccccc2)c2ccc(Cl)cc2)c(=O)n(C)c1=O ZINC000015334584 1073611331 /nfs/dbraw/zinc/61/13/31/1073611331.db2.gz LPFHPHOSUOOGKM-QGZVFWFLSA-N -1 1 419.890 1.805 20 0 HDADMM CN1c2ccc(S(=O)(=O)[N-]c3cccc(-c4nnnn4C4CC4)c3)cc2CC1=O ZINC000014205300 1073619641 /nfs/dbraw/zinc/61/96/41/1073619641.db2.gz REJHYCGYKNHBRQ-UHFFFAOYSA-N -1 1 410.459 1.995 20 0 HDADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000014410797 1073815167 /nfs/dbraw/zinc/81/51/67/1073815167.db2.gz KOXQOAHKBQZLOC-UHFFFAOYSA-N -1 1 414.462 1.648 20 0 HDADMM NS(=O)(=O)c1cccc(N2C[C@H](C(=O)Nc3ccc([O-])c(Cl)c3)CC2=O)c1 ZINC000509173393 1073915074 /nfs/dbraw/zinc/91/50/74/1073915074.db2.gz QQJGNBDYZHGMOO-SNVBAGLBSA-N -1 1 409.851 1.685 20 0 HDADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)CO)c(Br)c1 ZINC000466577393 1074006360 /nfs/dbraw/zinc/00/63/60/1074006360.db2.gz YBGVSRZCGKIIIY-UHFFFAOYSA-N -1 1 402.213 1.532 20 0 HDADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2N2CCOCC2)cn1 ZINC000509221221 1074247965 /nfs/dbraw/zinc/24/79/65/1074247965.db2.gz XMHUKZHFOXALCD-UHFFFAOYSA-N -1 1 418.519 1.864 20 0 HDADMM CN1C(=O)N[C@@]2(CCC[C@H]2C[N-]S(=O)(=O)c2sccc2Br)C1=O ZINC000674419354 1074320286 /nfs/dbraw/zinc/32/02/86/1074320286.db2.gz CDSQDSQMLTVNLH-ISVAXAHUSA-N -1 1 422.326 1.509 20 0 HDADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3C[C@H](O)C[C@H](O)C3)c2)c1 ZINC000674805962 1074572468 /nfs/dbraw/zinc/57/24/68/1074572468.db2.gz IUMAXYHZOBPMSQ-HDICACEKSA-N -1 1 404.488 1.672 20 0 HDADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3C[C@H](O)C[C@H](O)C3)c2)cc1F ZINC000674806016 1074572962 /nfs/dbraw/zinc/57/29/62/1074572962.db2.gz XCKXIPUDSZHPSM-IYBDPMFKSA-N -1 1 408.451 1.503 20 0 HDADMM COc1cccc([C@@H]2C[C@H]2NC(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)c1 ZINC001128906864 1074655496 /nfs/dbraw/zinc/65/54/96/1074655496.db2.gz WKNKPDLJCKZSFT-RBUKOAKNSA-N -1 1 412.490 1.941 20 0 HDADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)N1CCN2CCOC[C@@H]2C1 ZINC000543612975 1074710334 /nfs/dbraw/zinc/71/03/34/1074710334.db2.gz MFVXLGJSKMVZHF-SFHVURJKSA-N -1 1 419.478 1.783 20 0 HDADMM COc1cc(F)c(S(=O)(=O)[N-]Cc2ccc3c(c2)CCS3(=O)=O)c(F)c1 ZINC000675130032 1074735566 /nfs/dbraw/zinc/73/55/66/1074735566.db2.gz GQJQZCUCNFMIMF-UHFFFAOYSA-N -1 1 403.428 1.782 20 0 HDADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCc3ncn(C)n3)cc2)cc1 ZINC000509328877 1075104686 /nfs/dbraw/zinc/10/46/86/1075104686.db2.gz VONAHSNGYRJXFN-UHFFFAOYSA-N -1 1 401.448 1.555 20 0 HDADMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)OC[C@@H]1CNC(=O)O1 ZINC000923170955 1075134196 /nfs/dbraw/zinc/13/41/96/1075134196.db2.gz NGDKNRSTBLJYBR-HNNXBMFYSA-N -1 1 408.407 1.821 20 0 HDADMM NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(CCc3ccccc3)n[nH]2)c1 ZINC000675546337 1075205564 /nfs/dbraw/zinc/20/55/64/1075205564.db2.gz FCYAOZGRSFZPAO-UHFFFAOYSA-N -1 1 406.489 1.643 20 0 HDADMM COc1ccc(NC(=O)NCc2ccc3c(c2)C(=O)NCC3)cc1[N-]S(C)(=O)=O ZINC000543635962 1075216905 /nfs/dbraw/zinc/21/69/05/1075216905.db2.gz PVNVBZWYDCJLCS-UHFFFAOYSA-N -1 1 418.475 1.674 20 0 HDADMM O=C(CSc1nnc(COc2ccccc2)n1-c1ccccc1)NCc1nn[n-]n1 ZINC000675790918 1075272541 /nfs/dbraw/zinc/27/25/41/1075272541.db2.gz KDJWZGCFYSDIOR-UHFFFAOYSA-N -1 1 422.474 1.768 20 0 HDADMM CCOCCOc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C(N)=O)c2)cc1 ZINC000509379365 1075339692 /nfs/dbraw/zinc/33/96/92/1075339692.db2.gz PSKMULIIROIMHE-UHFFFAOYSA-N -1 1 407.448 1.327 20 0 HDADMM CCN1C(=S)N=NC1CCNC(=O)c1cc(I)ccc1[O-] ZINC000731447200 1075342849 /nfs/dbraw/zinc/34/28/49/1075342849.db2.gz SXLYBJWJWIXJRO-UHFFFAOYSA-N -1 1 418.260 1.869 20 0 HDADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)CCS(C)(=O)=O)cc2)cc1 ZINC000731596563 1075404867 /nfs/dbraw/zinc/40/48/67/1075404867.db2.gz QCQBICYHLOUZOD-UHFFFAOYSA-N -1 1 417.530 1.614 20 0 HDADMM CC[C@@H](C)n1nc(NC(=O)C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1C ZINC000580334820 1075445891 /nfs/dbraw/zinc/44/58/91/1075445891.db2.gz RZBVIOLEXZXEPV-LLVKDONJSA-N -1 1 423.495 2.120 20 0 HDADMM C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@@H]1CN(C)CCO1 ZINC000676257438 1075453386 /nfs/dbraw/zinc/45/33/86/1075453386.db2.gz VAACVLRDLBNELV-KXBFYZLASA-N -1 1 403.504 1.936 20 0 HDADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@H]1CN(C2CC2)CCO1 ZINC000509404741 1075511800 /nfs/dbraw/zinc/51/18/00/1075511800.db2.gz SCSZDUCIWMLSPC-LBPRGKRZSA-N -1 1 423.318 1.922 20 0 HDADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCCNC(=O)c1cccnc1 ZINC000509411845 1075533871 /nfs/dbraw/zinc/53/38/71/1075533871.db2.gz VDZOSTUDBBEDQH-UHFFFAOYSA-N -1 1 406.446 1.426 20 0 HDADMM O=C(c1ccc(Cl)cc1)N1CCC[C@H](C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)C1 ZINC000731852664 1075534152 /nfs/dbraw/zinc/53/41/52/1075534152.db2.gz ALSGIHPYDOPRMY-DZGCQCFKSA-N -1 1 404.858 1.305 20 0 HDADMM O=C(c1cccc(CS(=O)(=O)c2ccccc2)c1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000731855296 1075536970 /nfs/dbraw/zinc/53/69/70/1075536970.db2.gz GSOQUZDIZSRBJD-QGZVFWFLSA-N -1 1 413.459 1.387 20 0 HDADMM O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000731855462 1075537159 /nfs/dbraw/zinc/53/71/59/1075537159.db2.gz ODNKIXCJAFOQOB-QGZVFWFLSA-N -1 1 402.418 1.661 20 0 HDADMM O=C(c1nc(-c2cccs2)n(-c2ccccc2)n1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000731855422 1075537431 /nfs/dbraw/zinc/53/74/31/1075537431.db2.gz LVIFYXKPVUAPBV-CYBMUJFWSA-N -1 1 408.447 1.723 20 0 HDADMM C[C@@H](CCO)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000676395962 1075542148 /nfs/dbraw/zinc/54/21/48/1075542148.db2.gz LAMSJNZHFFNRBB-LBPRGKRZSA-N -1 1 418.475 1.818 20 0 HDADMM O=C(CSc1ccccc1C(=O)N1CCO[C@H](c2nn[n-]n2)C1)N1CCCC1 ZINC000731880112 1075551274 /nfs/dbraw/zinc/55/12/74/1075551274.db2.gz FTDIPTXNTJXGCP-AWEZNQCLSA-N -1 1 402.480 1.128 20 0 HDADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@H](O)COC)cc2)cc1 ZINC000676534569 1075578600 /nfs/dbraw/zinc/57/86/00/1075578600.db2.gz WYLGQEUASNGNDN-INIZCTEOSA-N -1 1 408.476 1.623 20 0 HDADMM C[C@@H](O)CN(C)C(=O)C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000676539130 1075579899 /nfs/dbraw/zinc/57/98/99/1075579899.db2.gz QHXNBEXFWQTZOI-CYBMUJFWSA-N -1 1 423.466 1.082 20 0 HDADMM Cn1ncnc1COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)NCC3)cc1 ZINC000676559266 1075589876 /nfs/dbraw/zinc/58/98/76/1075589876.db2.gz FQCTWKRUVZMMQE-UHFFFAOYSA-N -1 1 413.459 1.481 20 0 HDADMM O=C(N1CCO[C@H](c2nn[n-]n2)C1)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000732088720 1075621667 /nfs/dbraw/zinc/62/16/67/1075621667.db2.gz GFNUYONTULVPTD-ZBEGNZNMSA-N -1 1 406.855 1.382 20 0 HDADMM O=C([C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732088417 1075622284 /nfs/dbraw/zinc/62/22/84/1075622284.db2.gz ARSYOESTLNKBHX-GXFFZTMASA-N -1 1 411.249 1.460 20 0 HDADMM O=C(c1cnn(-c2ccccc2F)c1C(F)(F)F)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732089656 1075622584 /nfs/dbraw/zinc/62/25/84/1075622584.db2.gz QFRWARDOGFKSQK-GFCCVEGCSA-N -1 1 411.319 1.757 20 0 HDADMM CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732090017 1075623978 /nfs/dbraw/zinc/62/39/78/1075623978.db2.gz GBSGATSGACKHPP-MTPYNGCESA-N -1 1 416.526 1.457 20 0 HDADMM O=C(Nc1cccc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)c1)[C@@H]1Cc2ccccc2O1 ZINC000732090406 1075625167 /nfs/dbraw/zinc/62/51/67/1075625167.db2.gz VXFRVZOHXUPHEZ-ROUUACIJSA-N -1 1 420.429 1.356 20 0 HDADMM O=C(CCOc1ccc(Cl)cc1Br)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732091698 1075626252 /nfs/dbraw/zinc/62/62/52/1075626252.db2.gz NKZOCADKRWKXAF-LBPRGKRZSA-N -1 1 416.663 1.985 20 0 HDADMM O=C(Nc1ccccc1F)N1CCC[C@H](C(=O)N2CCO[C@H](c3nn[n-]n3)C2)C1 ZINC000732091578 1075626672 /nfs/dbraw/zinc/62/66/72/1075626672.db2.gz JPRQDLHREDVUQX-WFASDCNBSA-N -1 1 403.418 1.183 20 0 HDADMM CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732091206 1075627582 /nfs/dbraw/zinc/62/75/82/1075627582.db2.gz VGLCZDOYPRJVNM-HZPDHXFCSA-N -1 1 414.466 1.462 20 0 HDADMM CN([C@H]1CCCc2c1cnn2C)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000676642248 1075631025 /nfs/dbraw/zinc/63/10/25/1075631025.db2.gz AKCCNKSZANLPKZ-HNNXBMFYSA-N -1 1 416.500 1.629 20 0 HDADMM NC(=O)C1(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)c2)CCC1 ZINC000676671229 1075638440 /nfs/dbraw/zinc/63/84/40/1075638440.db2.gz PUVRXVZDKHDRBN-UHFFFAOYSA-N -1 1 417.443 1.354 20 0 HDADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3nnc(N)o3)cc2)cc1 ZINC000530490591 1075659767 /nfs/dbraw/zinc/65/97/67/1075659767.db2.gz ZPINMVXDWRPLMM-UHFFFAOYSA-N -1 1 417.447 1.781 20 0 HDADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C3N=NC(=S)N3C3CC3)C2)o1 ZINC000732174668 1075660379 /nfs/dbraw/zinc/66/03/79/1075660379.db2.gz AALMORQGDFLTDL-SNVBAGLBSA-N -1 1 411.509 1.423 20 0 HDADMM CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000429260446 1075708037 /nfs/dbraw/zinc/70/80/37/1075708037.db2.gz WPAUAZPQNRXWCZ-CQSZACIVSA-N -1 1 423.491 1.656 20 0 HDADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)NCCc2nc(N)no2)cc1 ZINC000480109312 1075740441 /nfs/dbraw/zinc/74/04/41/1075740441.db2.gz MZVXVHLCDIHMIV-UHFFFAOYSA-N -1 1 419.438 1.873 20 0 HDADMM O=C(c1cccc(S(=O)(=O)NCC2CC2)c1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000509261095 1075748637 /nfs/dbraw/zinc/74/86/37/1075748637.db2.gz AFXIUTZVONKYRH-UHFFFAOYSA-N -1 1 406.464 1.483 20 0 HDADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OCCNS(C)(=O)=O)c2)cc1 ZINC000732502369 1075770125 /nfs/dbraw/zinc/77/01/25/1075770125.db2.gz RVXGKCCSTQYZCN-UHFFFAOYSA-N -1 1 412.489 1.502 20 0 HDADMM CCCCNC(=O)OC[C@H]1CCCCN1C(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000804232512 1075782545 /nfs/dbraw/zinc/78/25/45/1075782545.db2.gz AOLXXUFUOIOVPL-CQSZACIVSA-N -1 1 401.485 1.709 20 0 HDADMM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2SCC(N)=O)cc1 ZINC000509271832 1075790788 /nfs/dbraw/zinc/79/07/88/1075790788.db2.gz VYMZBEQFUDEWLA-UHFFFAOYSA-N -1 1 410.473 1.617 20 0 HDADMM O=C(c1ccc(I)c(F)c1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000611072341 1075825117 /nfs/dbraw/zinc/82/51/17/1075825117.db2.gz KXIAXHKROKTZBI-VIFPVBQESA-N -1 1 401.183 1.963 20 0 HDADMM COCCN1CCC[C@@H](NC(=O)c2ccccc2[N-]S(=O)(=O)C(F)(F)F)C1 ZINC000732763912 1075848135 /nfs/dbraw/zinc/84/81/35/1075848135.db2.gz MZUVIULBIHPJPG-GFCCVEGCSA-N -1 1 409.430 1.789 20 0 HDADMM COc1cc(-n2cnnn2)c(Cl)cc1C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000509293682 1075858324 /nfs/dbraw/zinc/85/83/24/1075858324.db2.gz IIVIRJRLYJNREW-UHFFFAOYSA-N -1 1 405.802 1.433 20 0 HDADMM CCOC(=O)[C@H](CO)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000611289128 1075893517 /nfs/dbraw/zinc/89/35/17/1075893517.db2.gz VNTZGZUSBMMENP-KRWDZBQOSA-N -1 1 424.450 1.589 20 0 HDADMM COc1cccc(NC(=O)c2ccccc2NC(=O)CCn2cc[n-]c(=O)c2=O)c1 ZINC000733144567 1075975273 /nfs/dbraw/zinc/97/52/73/1075975273.db2.gz JMQUUMXYKGXMAB-UHFFFAOYSA-N -1 1 408.414 1.826 20 0 HDADMM CS(=O)(=O)c1nc(NC(=O)c2ccccc2OCc2cn3ccccc3n2)n[n-]1 ZINC000733360637 1076052334 /nfs/dbraw/zinc/05/23/34/1076052334.db2.gz PDFIJGCLFPPBLP-UHFFFAOYSA-N -1 1 412.431 1.687 20 0 HDADMM CS(=O)(=O)c1n[n-]c(NC(=O)c2ccccc2OCc2cn3ccccc3n2)n1 ZINC000733360637 1076052339 /nfs/dbraw/zinc/05/23/39/1076052339.db2.gz PDFIJGCLFPPBLP-UHFFFAOYSA-N -1 1 412.431 1.687 20 0 HDADMM O=C(COC(=O)c1ccc2c(c1)NC(=O)CN2)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000727526711 1076148688 /nfs/dbraw/zinc/14/86/88/1076148688.db2.gz UDOZTOLPEPUHJY-UHFFFAOYSA-N -1 1 419.340 1.765 20 0 HDADMM CCOC(=O)[C@H]1CCCN(S(=O)(=O)[N-][C@@H](C(=O)OC)c2cc(F)ccc2F)C1 ZINC000727758215 1076231603 /nfs/dbraw/zinc/23/16/03/1076231603.db2.gz TUHLEZVCIDZKJQ-XHDPSFHLSA-N -1 1 420.434 1.288 20 0 HDADMM CCn1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)cc1C(=O)[O-] ZINC000533602053 1076244057 /nfs/dbraw/zinc/24/40/57/1076244057.db2.gz LVJXXKUTSCUOHT-UHFFFAOYSA-N -1 1 413.477 1.448 20 0 HDADMM O=C(O[C@H]1CCOC1=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000144381966 1076258644 /nfs/dbraw/zinc/25/86/44/1076258644.db2.gz OXGPQOACAYNZNE-INIZCTEOSA-N -1 1 419.411 1.731 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)Nc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000727849397 1076270812 /nfs/dbraw/zinc/27/08/12/1076270812.db2.gz AMCVGIKQEMNMLY-UHFFFAOYSA-N -1 1 414.443 1.366 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000727851653 1076271440 /nfs/dbraw/zinc/27/14/40/1076271440.db2.gz MXTUVTHKMQZNNR-CYBMUJFWSA-N -1 1 421.295 1.332 20 0 HDADMM O=C(CCn1cc[n-]c(=O)c1=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000727852312 1076271720 /nfs/dbraw/zinc/27/17/20/1076271720.db2.gz RSJHIPJAALITJG-UHFFFAOYSA-N -1 1 406.280 1.927 20 0 HDADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NC[C@@](C)(O)c1ccccc1 ZINC000734021448 1076291542 /nfs/dbraw/zinc/29/15/42/1076291542.db2.gz WPIGIGJINKWTDP-OAQYLSRUSA-N -1 1 400.479 1.284 20 0 HDADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NC[C@](C)(O)c1ccccc1 ZINC000734021447 1076291551 /nfs/dbraw/zinc/29/15/51/1076291551.db2.gz WPIGIGJINKWTDP-NRFANRHFSA-N -1 1 400.479 1.284 20 0 HDADMM CN(CCS(C)(=O)=O)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000728027064 1076310767 /nfs/dbraw/zinc/31/07/67/1076310767.db2.gz HPKDADSCVVRJRQ-UHFFFAOYSA-N -1 1 414.480 1.743 20 0 HDADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)CCS(C)(=O)=O)cc2)cc1 ZINC000728028403 1076311080 /nfs/dbraw/zinc/31/10/80/1076311080.db2.gz IAZJYQPETADXQZ-UHFFFAOYSA-N -1 1 410.517 1.912 20 0 HDADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)NCC(=O)c1ccccc1 ZINC000728094661 1076328389 /nfs/dbraw/zinc/32/83/89/1076328389.db2.gz GGHIKLVAFOZSPN-UHFFFAOYSA-N -1 1 418.471 1.994 20 0 HDADMM O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1ccc(NC(=O)CN2CCCCCC2)cc1 ZINC000730528417 1076590454 /nfs/dbraw/zinc/59/04/54/1076590454.db2.gz RIJMAEGAYZDHFT-UHFFFAOYSA-N -1 1 423.477 1.524 20 0 HDADMM CCCN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000730542485 1076595997 /nfs/dbraw/zinc/59/59/97/1076595997.db2.gz WJVJCMREPGSRGC-SFHVURJKSA-N -1 1 408.506 1.974 20 0 HDADMM CS(=O)(=O)NCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000730602312 1076612305 /nfs/dbraw/zinc/61/23/05/1076612305.db2.gz UIBWJYNMYVFAKS-UHFFFAOYSA-N -1 1 416.452 1.333 20 0 HDADMM