smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NC3CCCCCC3)c2)CC1 ZINC000216877246 568468875 /nfs/dbraw/zinc/46/88/75/568468875.db2.gz NFEVQCJJVLRYRB-UHFFFAOYSA-N 0 0 413.971 2.729 40 70 HFIBRN Cc1ccccc1CNC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl ZINC000216875900 568468947 /nfs/dbraw/zinc/46/89/47/568468947.db2.gz UFLDPPYSOSOUJK-UHFFFAOYSA-N 0 0 421.950 2.515 40 70 HFIBRN COc1ccc(CCCNC(=O)[C@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1 ZINC000218275387 568477296 /nfs/dbraw/zinc/47/72/96/568477296.db2.gz RNYVFIRRXWTHDV-INIZCTEOSA-N 0 0 420.531 2.607 40 70 HFIBRN CCOc1ccc(CNC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1OCC ZINC000218283828 568477432 /nfs/dbraw/zinc/47/74/32/568477432.db2.gz VQBNSXVHGUGPDQ-MRXNPFEDSA-N 0 0 420.531 2.955 40 70 HFIBRN COc1ccc(CCCNC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1OC ZINC000218286925 568477566 /nfs/dbraw/zinc/47/75/66/568477566.db2.gz LNXQIONMYXPVJA-MRXNPFEDSA-N 0 0 420.531 2.607 40 70 HFIBRN COc1ccc(CCCNC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000218356058 568479066 /nfs/dbraw/zinc/47/90/66/568479066.db2.gz RFOLERAFTDSVDN-QGZVFWFLSA-N 0 0 404.532 2.907 40 70 HFIBRN C[C@H](C(=O)NCCN(C)c1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000218384361 568479605 /nfs/dbraw/zinc/47/96/05/568479605.db2.gz GQWXZVHOMNMEHL-OAHLLOKOSA-N 0 0 409.939 2.747 40 70 HFIBRN CN(C)S(=O)(=O)N(CC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)c1ccccc1 ZINC000218418130 568480136 /nfs/dbraw/zinc/48/01/36/568480136.db2.gz UQKOGSROOJIRBH-GOSISDBHSA-N 0 0 417.531 2.718 40 70 HFIBRN CCS(=O)(=O)N(C)c1ccc(C(=O)NCCCc2ccc(OC)c(OC)c2)cc1 ZINC000218441374 568480430 /nfs/dbraw/zinc/48/04/30/568480430.db2.gz FEJULYOWSOPWOE-UHFFFAOYSA-N 0 0 420.531 2.852 40 70 HFIBRN CCS(=O)(=O)N(C)c1ccc(C(=O)NCc2nc(-c3cccc(C)c3)no2)cc1 ZINC000218443975 568480476 /nfs/dbraw/zinc/48/04/76/568480476.db2.gz IKJVUXKYEYAIJD-UHFFFAOYSA-N 0 0 414.487 2.761 40 70 HFIBRN Cc1ccccc1OC[C@@H](C)NC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000218460600 568480687 /nfs/dbraw/zinc/48/06/87/568480687.db2.gz OZDCPZPJXMSNKL-CVEARBPZSA-N 0 0 408.495 2.872 40 70 HFIBRN CC[C@@H](NC(=O)c1cccc(NS(C)(=O)=O)c1C)c1ccc(S(C)(=O)=O)cc1 ZINC000218581261 568481984 /nfs/dbraw/zinc/48/19/84/568481984.db2.gz GESCBWREUQJYMJ-QGZVFWFLSA-N 0 0 424.544 2.651 40 70 HFIBRN Cc1cccc(-c2noc(CNC(=O)c3cccc(NS(C)(=O)=O)c3C)n2)c1 ZINC000218581485 568482005 /nfs/dbraw/zinc/48/20/05/568482005.db2.gz VQXLIGYQKUNPNH-UHFFFAOYSA-N 0 0 400.460 2.655 40 70 HFIBRN CCOC[C@@]1(C(N)=S)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218162953 568926881 /nfs/dbraw/zinc/92/68/81/568926881.db2.gz ZOHZOSCRVLSLHD-WSTZPKSXSA-N 0 0 419.524 2.664 40 70 HFIBRN CCc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1 ZINC000216854867 568468286 /nfs/dbraw/zinc/46/82/86/568468286.db2.gz BSXKKGDQQYDFGI-UHFFFAOYSA-N 0 0 401.532 2.746 40 70 HFIBRN Cc1cc(C)cc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)c1 ZINC000216854102 568468290 /nfs/dbraw/zinc/46/82/90/568468290.db2.gz PVYJGQGSEIAMBX-UHFFFAOYSA-N 0 0 401.532 2.800 40 70 HFIBRN Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1 ZINC000216859251 568468417 /nfs/dbraw/zinc/46/84/17/568468417.db2.gz WWLFJTAXSHWAHE-GOSISDBHSA-N 0 0 415.559 2.731 40 70 HFIBRN Cc1ccc(C(=O)NCc2ccccc2Cl)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000216856698 568468446 /nfs/dbraw/zinc/46/84/46/568468446.db2.gz JXPLFWUCXALXDM-UHFFFAOYSA-N 0 0 421.950 2.515 40 70 HFIBRN Cc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)c1C ZINC000216861449 568468450 /nfs/dbraw/zinc/46/84/50/568468450.db2.gz HLAKXPQBIDDVBT-UHFFFAOYSA-N 0 0 401.532 2.800 40 70 HFIBRN Cc1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)c(C)c1 ZINC000216881416 568468951 /nfs/dbraw/zinc/46/89/51/568468951.db2.gz OAQLZMWZRNFOFS-UHFFFAOYSA-N 0 0 401.532 2.633 40 70 HFIBRN COc1ccc(-c2noc(CNC(=O)/C=C/c3ccc4c(c3)OCO4)n2)c(OC)c1 ZINC000217932155 568474343 /nfs/dbraw/zinc/47/43/43/568474343.db2.gz IKGNAWUXTBZCFY-XBXARRHUSA-N 0 0 409.398 2.812 40 70 HFIBRN COc1ccc(N([C@@H](C)C(=O)N[C@@H](C)COc2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000218277001 568477316 /nfs/dbraw/zinc/47/73/16/568477316.db2.gz QCVXSAMTTWPQOO-IRXDYDNUSA-N 0 0 420.531 2.742 40 70 HFIBRN CCc1ccc(N(CC(=O)N[C@@H](C)COc2ccc(OC)cc2)S(C)(=O)=O)cc1 ZINC000218307979 568478205 /nfs/dbraw/zinc/47/82/05/568478205.db2.gz RINAFFYNAHDOSG-INIZCTEOSA-N 0 0 420.531 2.607 40 70 HFIBRN CCOc1ccc(CNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1OCC ZINC000218332982 568478588 /nfs/dbraw/zinc/47/85/88/568478588.db2.gz KEOUJPYZWWVUCV-UHFFFAOYSA-N 0 0 406.504 2.810 40 70 HFIBRN CN(c1ccccc1C(=O)NCc1nc(-c2ccccc2Cl)no1)S(C)(=O)=O ZINC000218345107 568478824 /nfs/dbraw/zinc/47/88/24/568478824.db2.gz FPQQCVRCWARMLA-UHFFFAOYSA-N 0 0 420.878 2.716 40 70 HFIBRN CN(c1ccccc1C(=O)Nc1ccccc1C(N)=O)S(=O)(=O)c1ccccc1 ZINC000218346703 568478884 /nfs/dbraw/zinc/47/88/84/568478884.db2.gz OYGQTQLQEVYYEX-UHFFFAOYSA-N 0 0 409.467 2.863 40 70 HFIBRN CCS(=O)(=O)Nc1ccc(C(=O)NCCCc2ccc(OC)c(OC)c2)cc1 ZINC000218640645 568482643 /nfs/dbraw/zinc/48/26/43/568482643.db2.gz PLRBFEDLWKLDQD-UHFFFAOYSA-N 0 0 406.504 2.828 40 70 HFIBRN CCN(c1ccc(C(=O)NCc2nc(-c3cccc(C)c3)no2)cc1)S(C)(=O)=O ZINC000218783219 568483601 /nfs/dbraw/zinc/48/36/01/568483601.db2.gz FDOLTUNMUDIWGU-UHFFFAOYSA-N 0 0 414.487 2.761 40 70 HFIBRN CCN(c1ccc(C(=O)NCc2nc(-c3cccs3)no2)cc1)S(C)(=O)=O ZINC000218783888 568483662 /nfs/dbraw/zinc/48/36/62/568483662.db2.gz UKDHFPSLTWHWDZ-UHFFFAOYSA-N 0 0 406.489 2.514 40 70 HFIBRN COc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000216783951 568467232 /nfs/dbraw/zinc/46/72/32/568467232.db2.gz OZAZCKYBQMOSKD-UHFFFAOYSA-N 0 0 417.531 2.500 40 70 HFIBRN COc1ccc(C)cc1NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1C ZINC000216861995 568468573 /nfs/dbraw/zinc/46/85/73/568468573.db2.gz KLKTXKPHHFBOHC-UHFFFAOYSA-N 0 0 417.531 2.500 40 70 HFIBRN Cc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)cc1 ZINC000216865650 568468692 /nfs/dbraw/zinc/46/86/92/568468692.db2.gz YECVGBHBVVZFCQ-UHFFFAOYSA-N 0 0 415.559 2.512 40 70 HFIBRN Cc1ccc([C@H](C)NC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)cc1 ZINC000216888336 568469152 /nfs/dbraw/zinc/46/91/52/568469152.db2.gz VXYONRXLCMZGGQ-SFHVURJKSA-N 0 0 415.559 2.563 40 70 HFIBRN CC[C@H](NC(=O)c1cc(OC)c(OC)c(OC)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000218129636 568475389 /nfs/dbraw/zinc/47/53/89/568475389.db2.gz GZEUFLQSBIRTCK-INIZCTEOSA-N 0 0 407.488 2.997 40 70 HFIBRN Cc1ccc(C)c(N(CC(=O)NCCCN(C)c2ccccc2)S(C)(=O)=O)c1 ZINC000218240323 568476733 /nfs/dbraw/zinc/47/67/33/568476733.db2.gz RZAVQJNDNWYZHF-UHFFFAOYSA-N 0 0 403.548 2.712 40 70 HFIBRN Cc1cccc(C)c1N(CC(=O)NCCCN(C)c1ccccc1)S(C)(=O)=O ZINC000218273682 568477193 /nfs/dbraw/zinc/47/71/93/568477193.db2.gz TYCALHDTGYAVLB-UHFFFAOYSA-N 0 0 403.548 2.712 40 70 HFIBRN CCOc1ccc(CCCNC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 ZINC000218286682 568477543 /nfs/dbraw/zinc/47/75/43/568477543.db2.gz CVNLYPKBUQGOCU-QGZVFWFLSA-N 0 0 404.532 2.989 40 70 HFIBRN Cc1ccc(-c2noc(CNC(=O)[C@H](C)N(c3ccccc3)S(C)(=O)=O)n2)cc1 ZINC000218290601 568477790 /nfs/dbraw/zinc/47/77/90/568477790.db2.gz BDHQSMBOROAJQG-HNNXBMFYSA-N 0 0 414.487 2.516 40 70 HFIBRN O=C(NCc1nc(-c2cccc(Br)c2)no1)[C@H]1COc2ccccc2O1 ZINC000218301433 568478083 /nfs/dbraw/zinc/47/80/83/568478083.db2.gz OMOSPLLHAXRTDA-OAHLLOKOSA-N 0 0 416.231 2.955 40 70 HFIBRN CS(=O)(=O)Nc1ccc(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000218404837 568479923 /nfs/dbraw/zinc/47/99/23/568479923.db2.gz BFIVXVASHSCVRW-UHFFFAOYSA-N 0 0 406.851 2.692 40 70 HFIBRN CN(C)S(=O)(=O)N(CC(=O)NCCCc1ccc(Cl)cc1)c1ccccc1 ZINC000218416703 568479952 /nfs/dbraw/zinc/47/99/52/568479952.db2.gz BQRDPLVPCOTGTP-UHFFFAOYSA-N 0 0 409.939 2.702 40 70 HFIBRN CCS(=O)(=O)N(C)c1ccc(C(=O)N[C@@H](C)COc2ccc(OC)cc2)cc1 ZINC000218440031 568480318 /nfs/dbraw/zinc/48/03/18/568480318.db2.gz GBXMWEZOPWBNQO-HNNXBMFYSA-N 0 0 406.504 2.678 40 70 HFIBRN Cc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000218460788 568480638 /nfs/dbraw/zinc/48/06/38/568480638.db2.gz VQEDXBLMJXGHTH-HZPDHXFCSA-N 0 0 408.495 2.872 40 70 HFIBRN CC[C@H](NC(=O)c1cccc(NS(C)(=O)=O)c1C)c1ccc(S(C)(=O)=O)cc1 ZINC000218581326 568481994 /nfs/dbraw/zinc/48/19/94/568481994.db2.gz GESCBWREUQJYMJ-KRWDZBQOSA-N 0 0 424.544 2.651 40 70 HFIBRN Cc1c(NS(C)(=O)=O)cccc1C(=O)N(C)Cc1nc(-c2cccs2)no1 ZINC000218582905 568482017 /nfs/dbraw/zinc/48/20/17/568482017.db2.gz ARDQSQCZURMKKB-UHFFFAOYSA-N 0 0 406.489 2.750 40 70 HFIBRN Cc1cccc(-c2noc(CNC(=O)c3ccc(C)c(NS(C)(=O)=O)c3)n2)c1 ZINC000218589689 568482133 /nfs/dbraw/zinc/48/21/33/568482133.db2.gz VFZQLICJAQVCBG-UHFFFAOYSA-N 0 0 400.460 2.655 40 70 HFIBRN CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)CC)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000218642957 568482648 /nfs/dbraw/zinc/48/26/48/568482648.db2.gz YZXVPNVIZXPBOC-GOSISDBHSA-N 0 0 424.544 2.733 40 70 HFIBRN COc1ccc(O[C@H](C)C(=O)NCc2nc(-c3ccc(OC)cc3OC)no2)cc1 ZINC000218753147 568483323 /nfs/dbraw/zinc/48/33/23/568483323.db2.gz CHKAXNIHLULNSV-CYBMUJFWSA-N 0 0 413.430 2.846 40 70 HFIBRN CCOC[C@]1(C(N)=S)[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218163035 568926954 /nfs/dbraw/zinc/92/69/54/568926954.db2.gz ZOHZOSCRVLSLHD-BJLQDIEVSA-N 0 0 419.524 2.664 40 70 HFIBRN Cc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000216855150 568468230 /nfs/dbraw/zinc/46/82/30/568468230.db2.gz KBMLJEQLQVRELX-UHFFFAOYSA-N 0 0 421.950 2.515 40 70 HFIBRN Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)c(C)c1 ZINC000216854022 568468275 /nfs/dbraw/zinc/46/82/75/568468275.db2.gz BZEOZIRYCWNUIW-UHFFFAOYSA-N 0 0 401.532 2.800 40 70 HFIBRN CSc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000216857264 568468442 /nfs/dbraw/zinc/46/84/42/568468442.db2.gz NEJFBNSCFKWRLY-UHFFFAOYSA-N 0 0 419.572 2.905 40 70 HFIBRN CCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)cc1 ZINC000216861472 568468491 /nfs/dbraw/zinc/46/84/91/568468491.db2.gz RHTDRHYOWQCBRF-UHFFFAOYSA-N 0 0 401.532 2.746 40 70 HFIBRN CN1CCN(S(=O)(=O)c2cc(C(=O)Nc3ccc(F)cc3)ccc2Cl)CC1 ZINC000216870051 568468741 /nfs/dbraw/zinc/46/87/41/568468741.db2.gz DEFRGXAJMMYETD-UHFFFAOYSA-N 0 0 411.886 2.668 40 70 HFIBRN COc1ccc(OC[C@H](C)NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 ZINC000218242872 568476855 /nfs/dbraw/zinc/47/68/55/568476855.db2.gz NCRHEODPMRUZQE-KRWDZBQOSA-N 0 0 420.531 2.662 40 70 HFIBRN CC(C)(C)NC(=O)c1ccccc1NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000218264410 568477035 /nfs/dbraw/zinc/47/70/35/568477035.db2.gz FDZZCBFXBLPILF-UHFFFAOYSA-N 0 0 421.494 2.759 40 70 HFIBRN COc1ccc(OC[C@H](C)NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 ZINC000218272195 568477188 /nfs/dbraw/zinc/47/71/88/568477188.db2.gz FVVUDMPFGGQVPI-KRWDZBQOSA-N 0 0 420.531 2.662 40 70 HFIBRN Cc1ccc(N([C@H](C)C(=O)NCCCN(C)c2ccccc2)S(C)(=O)=O)cc1 ZINC000218364027 568479273 /nfs/dbraw/zinc/47/92/73/568479273.db2.gz ZBFDWVKMHQTFPP-GOSISDBHSA-N 0 0 403.548 2.792 40 70 HFIBRN CCS(=O)(=O)N(C)c1ccc(C(=O)N[C@H](C)COc2ccc(OC)cc2)cc1 ZINC000218440113 568480310 /nfs/dbraw/zinc/48/03/10/568480310.db2.gz GBXMWEZOPWBNQO-OAHLLOKOSA-N 0 0 406.504 2.678 40 70 HFIBRN COc1cccc(CCCNC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c1 ZINC000218457664 568480683 /nfs/dbraw/zinc/48/06/83/568480683.db2.gz WVYARGVZQMWAPV-HNNXBMFYSA-N 0 0 408.495 2.738 40 70 HFIBRN Cc1c(NS(C)(=O)=O)cccc1C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000218582083 568481972 /nfs/dbraw/zinc/48/19/72/568481972.db2.gz FHFUDZUAVMBQJK-UHFFFAOYSA-N 0 0 420.878 3.000 40 70 HFIBRN Cc1cc(C(=O)NCCCN2CCCc3ccccc32)ccc1NS(C)(=O)=O ZINC000218601117 568482350 /nfs/dbraw/zinc/48/23/50/568482350.db2.gz RJXFURWJEXAAFM-UHFFFAOYSA-N 0 0 401.532 2.939 40 70 HFIBRN COC[C@]1(C(N)=S)[C@@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218114237 568925964 /nfs/dbraw/zinc/92/59/64/568925964.db2.gz BWTFIKOPMRIFHW-BJLQDIEVSA-N 0 0 405.541 2.862 40 70 HFIBRN Cc1nc(Nc2ccc(I)cc2)cc(N2CCN(C)CC2)n1 ZINC000216849102 568468310 /nfs/dbraw/zinc/46/83/10/568468310.db2.gz CPYBVBCMCUUQNI-UHFFFAOYSA-N 0 0 409.275 2.885 40 70 HFIBRN CCOc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000216854409 568468319 /nfs/dbraw/zinc/46/83/19/568468319.db2.gz ZCRACOOWFPIWOP-UHFFFAOYSA-N 0 0 417.531 2.582 40 70 HFIBRN Cc1cccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(C)CC3)c2)c1 ZINC000216872127 568468850 /nfs/dbraw/zinc/46/88/50/568468850.db2.gz BUBCHLOYLYRJIP-UHFFFAOYSA-N 0 0 421.950 2.515 40 70 HFIBRN COc1ccc(N([C@H](C)C(=O)N[C@@H](C)COc2ccccc2C)S(C)(=O)=O)cc1 ZINC000218276886 568477311 /nfs/dbraw/zinc/47/73/11/568477311.db2.gz OCYKTXJUXKOARL-DLBZAZTESA-N 0 0 420.531 2.742 40 70 HFIBRN COc1ccc(OC[C@H](C)NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1 ZINC000218280982 568477353 /nfs/dbraw/zinc/47/73/53/568477353.db2.gz CPYGUIHJCLHMPH-INIZCTEOSA-N 0 0 420.531 2.662 40 70 HFIBRN CN(c1ccc(C(=O)NCc2nc(-c3ccccc3Cl)no2)cc1)S(C)(=O)=O ZINC000218338344 568478696 /nfs/dbraw/zinc/47/86/96/568478696.db2.gz MNGIWCDSQXUZPM-UHFFFAOYSA-N 0 0 420.878 2.716 40 70 HFIBRN CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(N(C)S(C)(=O)=O)cc1 ZINC000218339514 568478722 /nfs/dbraw/zinc/47/87/22/568478722.db2.gz CQHNTKQRFXQKEO-UHFFFAOYSA-N 0 0 420.516 2.856 40 70 HFIBRN CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccccc1N(C)S(C)(=O)=O ZINC000218346178 568478803 /nfs/dbraw/zinc/47/88/03/568478803.db2.gz RFHAZJPZLCOCTH-UHFFFAOYSA-N 0 0 420.516 2.856 40 70 HFIBRN COC[C@@]1(C(N)=S)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218114147 568925912 /nfs/dbraw/zinc/92/59/12/568925912.db2.gz BWTFIKOPMRIFHW-WSTZPKSXSA-N 0 0 405.541 2.862 40 70 HFIBRN Cc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)cc1 ZINC000216865157 568468599 /nfs/dbraw/zinc/46/85/99/568468599.db2.gz WJRNKMSXDIPZAY-SFHVURJKSA-N 0 0 415.559 2.731 40 70 HFIBRN CN(Cc1ccccc1)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000216868929 568468728 /nfs/dbraw/zinc/46/87/28/568468728.db2.gz OXHPHSQDZKMJEM-UHFFFAOYSA-N 0 0 421.950 2.548 40 70 HFIBRN COc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)c1 ZINC000216875328 568468928 /nfs/dbraw/zinc/46/89/28/568468928.db2.gz ZWPWZPMWPKHQCS-UHFFFAOYSA-N 0 0 423.922 2.537 40 70 HFIBRN CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(F)cc3)c2)CC1 ZINC000216876485 568468958 /nfs/dbraw/zinc/46/89/58/568468958.db2.gz IVNAFWBWFXQROO-UHFFFAOYSA-N 0 0 411.886 2.668 40 70 HFIBRN COc1ccc(-c2cc(C(=O)N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)[nH]n2)cc1OC ZINC000217987555 568474430 /nfs/dbraw/zinc/47/44/30/568474430.db2.gz LKPHQANQHCIRMC-GOEBONIOSA-N 0 0 420.469 2.515 40 70 HFIBRN COc1cccc(-c2noc(CNC(=O)c3ccc(CN4CCOCC4)cc3)n2)c1 ZINC000218076543 568475080 /nfs/dbraw/zinc/47/50/80/568475080.db2.gz FHHWPFJTVRJSPJ-UHFFFAOYSA-N 0 0 408.458 2.507 40 70 HFIBRN CC[C@@H](NC(=O)c1cc(OC)c(OC)c(OC)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000218129549 568475437 /nfs/dbraw/zinc/47/54/37/568475437.db2.gz GZEUFLQSBIRTCK-MRXNPFEDSA-N 0 0 407.488 2.997 40 70 HFIBRN CN(CCCNC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccccc1 ZINC000218252898 568476832 /nfs/dbraw/zinc/47/68/32/568476832.db2.gz UEQKGHWUGQCIQG-UHFFFAOYSA-N 0 0 409.939 2.749 40 70 HFIBRN COc1ccc(N([C@@H](C)C(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000218274878 568477177 /nfs/dbraw/zinc/47/71/77/568477177.db2.gz PGNMCBZKQTZMLI-HNNXBMFYSA-N 0 0 408.495 2.738 40 70 HFIBRN Cc1cccc(-c2noc(CNC(=O)[C@H](C)N(c3ccccc3)S(C)(=O)=O)n2)c1 ZINC000218290433 568477797 /nfs/dbraw/zinc/47/77/97/568477797.db2.gz DAWPXTAPAIIKEX-HNNXBMFYSA-N 0 0 414.487 2.516 40 70 HFIBRN Cc1ccc2c(c1)[C@@H](NC(=O)CN1C(=O)c3ccccc3S1(=O)=O)CC(C)(C)O2 ZINC000218327820 568478515 /nfs/dbraw/zinc/47/85/15/568478515.db2.gz VJACIJYTQFEYHN-INIZCTEOSA-N 0 0 414.483 2.558 40 70 HFIBRN Cc1ccc(OCCNC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 ZINC000218475836 568480839 /nfs/dbraw/zinc/48/08/39/568480839.db2.gz YKCACAZHLJUJCJ-OAHLLOKOSA-N 0 0 410.923 2.998 40 70 HFIBRN Cc1ccc(OCCNC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 ZINC000218546990 568481638 /nfs/dbraw/zinc/48/16/38/568481638.db2.gz WUOUZQAJCWFILB-GOSISDBHSA-N 0 0 404.532 2.962 40 70 HFIBRN Cc1cccc(-c2noc(CN(C)C(=O)c3cccc(NS(C)(=O)=O)c3)n2)c1 ZINC000218570577 568481879 /nfs/dbraw/zinc/48/18/79/568481879.db2.gz ZXBOILBTELEFCB-UHFFFAOYSA-N 0 0 400.460 2.689 40 70 HFIBRN Cc1c(NS(C)(=O)=O)cccc1C(=O)NCCCN1CCCc2ccccc21 ZINC000218583297 568481991 /nfs/dbraw/zinc/48/19/91/568481991.db2.gz 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Cc1cccc(N(CC(=O)N(C)Cc2nc(-c3cccs3)no2)S(C)(=O)=O)c1 ZINC000218232722 568476732 /nfs/dbraw/zinc/47/67/32/568476732.db2.gz PQTACZRCEIRHRB-UHFFFAOYSA-N 0 0 420.516 2.531 40 70 HFIBRN COc1ccc(N([C@H](C)C(=O)NCc2cccc(OC(C)C)c2)S(C)(=O)=O)cc1 ZINC000218274427 568477216 /nfs/dbraw/zinc/47/72/16/568477216.db2.gz LTKKGKQXVRGORV-MRXNPFEDSA-N 0 0 420.531 2.953 40 70 HFIBRN COc1ccccc1N(CC(=O)N1CCC(Cc2ccccc2)CC1)S(C)(=O)=O ZINC000218311007 568478241 /nfs/dbraw/zinc/47/82/41/568478241.db2.gz OAWCARJBLUODMI-UHFFFAOYSA-N 0 0 416.543 2.943 40 70 HFIBRN Cc1cccc(-c2noc(CN(C)C(=O)c3ccc(N(C)S(C)(=O)=O)cc3)n2)c1 ZINC000218338764 568478697 /nfs/dbraw/zinc/47/86/97/568478697.db2.gz YQOFPGMRHIEPEI-UHFFFAOYSA-N 0 0 414.487 2.713 40 70 HFIBRN COc1cc(CNC(=O)c2ccccc2N(C)S(C)(=O)=O)ccc1OC(C)C ZINC000218340736 568478735 /nfs/dbraw/zinc/47/87/35/568478735.db2.gz HLLUKFIBGFQMGY-UHFFFAOYSA-N 0 0 406.504 2.808 40 70 HFIBRN COc1cccc(CCCNC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)c1 ZINC000218355869 568479031 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C[C@H]1C(=O)C[C@H](c2ccco2)N2C(=O)[C@H]3[C@H](C(=O)Nc4ccccc4)[C@H]4C=C[C@@]3(O4)[C@@H]12 ZINC000217509894 568472553 /nfs/dbraw/zinc/47/25/53/568472553.db2.gz WPBZOXULLMVBCB-VURMYAFTSA-N 0 0 418.449 2.719 40 70 HFIBRN Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC[C@@H](C)C4)[nH]c(=O)c32)c(F)c1 ZINC000217816518 568474084 /nfs/dbraw/zinc/47/40/84/568474084.db2.gz BLIAVVSVFQAAJL-OLZOCXBDSA-N 0 0 413.453 2.518 40 70 HFIBRN COCCn1cc(CC(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)c2ccccc21 ZINC000218047265 568474907 /nfs/dbraw/zinc/47/49/07/568474907.db2.gz FLJVMOLOJULZJK-PKOBYXMFSA-N 0 0 405.498 2.638 40 70 HFIBRN COc1cccc(-c2noc(CN(C)C(=O)c3ccc(CN4CCOCC4)cc3)n2)c1 ZINC000218077228 568474955 /nfs/dbraw/zinc/47/49/55/568474955.db2.gz QWLOPBSLBBWBNE-UHFFFAOYSA-N 0 0 422.485 2.850 40 70 HFIBRN COc1ccc(CSCC(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1 ZINC000218112185 568475216 /nfs/dbraw/zinc/47/52/16/568475216.db2.gz LNQWHPZRXKTBHZ-UHFFFAOYSA-N 0 0 420.556 2.768 40 70 HFIBRN Cc1ccc(N(CC(=O)NCCCN(C)c2ccccc2)S(C)(=O)=O)c(C)c1 ZINC000218237925 568476703 /nfs/dbraw/zinc/47/67/03/568476703.db2.gz CFXSCZRKXDBYAA-UHFFFAOYSA-N 0 0 403.548 2.712 40 70 HFIBRN CS(=O)(=O)N(CC(=O)NCCCN1CCCc2ccccc21)c1ccc(F)cc1 ZINC000218266490 568477094 /nfs/dbraw/zinc/47/70/94/568477094.db2.gz MVKDFOCKTHAZSF-UHFFFAOYSA-N 0 0 419.522 2.551 40 70 HFIBRN Cc1ccc(OCCNC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000218384180 568479574 /nfs/dbraw/zinc/47/95/74/568479574.db2.gz JXVWKQRWRJCYGL-HNNXBMFYSA-N 0 0 410.923 2.998 40 70 HFIBRN C[C@@H](C(=O)NCCSCc1ccco1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000218449658 568480572 /nfs/dbraw/zinc/48/05/72/568480572.db2.gz ASAKDQAJHFOLSP-ZDUSSCGKSA-N 0 0 400.497 2.623 40 70 HFIBRN C[C@@H](C(=O)NCCCN(C)c1ccccc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000218465161 568480808 /nfs/dbraw/zinc/48/08/08/568480808.db2.gz IHJPYFQGUANFTA-INIZCTEOSA-N 0 0 407.511 2.623 40 70 HFIBRN CS(=O)(=O)Nc1cccc(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000218570385 568481913 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2.846 40 70 HFIBRN CC[C@H](Oc1ccc(OC)cc1)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000218754575 568483319 /nfs/dbraw/zinc/48/33/19/568483319.db2.gz GOTUPGWDTQLKJI-FQEVSTJZSA-N 0 0 418.515 2.692 40 70 HFIBRN CC(C)Oc1cccc(CNC(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)c1 ZINC000218761556 568483451 /nfs/dbraw/zinc/48/34/51/568483451.db2.gz OSUCFPNQCAQKMG-UHFFFAOYSA-N 0 0 420.531 2.560 40 70 HFIBRN CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1)c1ccccc1 ZINC000216859521 568468438 /nfs/dbraw/zinc/46/84/38/568468438.db2.gz JVRVPPAVKJRATB-FQEVSTJZSA-N 0 0 415.559 2.812 40 70 HFIBRN CSc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)c1 ZINC000216862419 568468579 /nfs/dbraw/zinc/46/85/79/568468579.db2.gz WUNHHFPGGBNLOG-UHFFFAOYSA-N 0 0 419.572 2.905 40 70 HFIBRN CN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C)CC2)c1)c1ccccc1 ZINC000216872005 568468716 /nfs/dbraw/zinc/46/87/16/568468716.db2.gz PYTXIHSIJVQCAV-UHFFFAOYSA-N 0 0 407.923 2.553 40 70 HFIBRN Cc1ccccc1CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000216869736 568468860 /nfs/dbraw/zinc/46/88/60/568468860.db2.gz PAMSKRDGBXYIGK-UHFFFAOYSA-N 0 0 421.950 2.515 40 70 HFIBRN Cc1cc(Cl)ccc1NC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1 ZINC000216883716 568469164 /nfs/dbraw/zinc/46/91/64/568469164.db2.gz HLUMTTZMKQGKSX-UHFFFAOYSA-N 0 0 421.950 2.978 40 70 HFIBRN COc1ccc(-c2n[nH]c(C)c2CC(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc1 ZINC000218043568 568474869 /nfs/dbraw/zinc/47/48/69/568474869.db2.gz MUORCAQIJUINOM-FUHWJXTLSA-N 0 0 418.497 2.744 40 70 HFIBRN Cc1cc(C)cc(N(CC(=O)NCCCN(C)c2ccccc2)S(C)(=O)=O)c1 ZINC000218242424 568476718 /nfs/dbraw/zinc/47/67/18/568476718.db2.gz DRCWIUWADXXSDY-UHFFFAOYSA-N 0 0 403.548 2.712 40 70 HFIBRN CCOc1ccc(N(CC(=O)N[C@@H](C)CCc2ccccc2)S(C)(=O)=O)cc1 ZINC000218258278 568476978 /nfs/dbraw/zinc/47/69/78/568476978.db2.gz CPGMRYUEENYMCQ-KRWDZBQOSA-N 0 0 404.532 2.989 40 70 HFIBRN C[C@H](C(=O)N(C)Cc1nc(-c2ccccc2)no1)N(c1ccccc1)S(C)(=O)=O ZINC000218291431 568477761 /nfs/dbraw/zinc/47/77/61/568477761.db2.gz JKFSLIZMLOGBAU-OAHLLOKOSA-N 0 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ZINC000218634683 568482676 /nfs/dbraw/zinc/48/26/76/568482676.db2.gz LODNXECMVUHOIL-UHFFFAOYSA-N 0 0 421.950 2.991 40 70 HFIBRN CN(CCNC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O)c1ccccc1 ZINC000218744640 568483300 /nfs/dbraw/zinc/48/33/00/568483300.db2.gz DYUSMRWVWVUUKA-UHFFFAOYSA-N 0 0 407.511 2.625 40 70 HFIBRN CN(Cc1ccc(OCC(=O)NCCCc2ccc(Cl)cc2)cc1)S(C)(=O)=O ZINC000218761780 568483457 /nfs/dbraw/zinc/48/34/57/568483457.db2.gz UFFFTOMICRNSFZ-UHFFFAOYSA-N 0 0 424.950 2.859 40 70 HFIBRN COC(=O)c1cccc(Cn2cc([C@@H]3OCCN3Cc3ccc(OC)cc3)nn2)c1 ZINC000216778744 568467230 /nfs/dbraw/zinc/46/72/30/568467230.db2.gz PGXADRWPDSIYFC-NRFANRHFSA-N 0 0 408.458 2.653 40 70 HFIBRN COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1ccc(C)c(C)c1 ZINC000216787025 568467363 /nfs/dbraw/zinc/46/73/63/568467363.db2.gz OSPFODGOJUKMNF-UHFFFAOYSA-N 0 0 417.531 2.500 40 70 HFIBRN Cc1ccc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)c1 ZINC000216854065 568468304 /nfs/dbraw/zinc/46/83/04/568468304.db2.gz NJOZMPLQACEHOK-UHFFFAOYSA-N 0 0 401.532 2.800 40 70 HFIBRN COc1ccc(C)cc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000216855639 568468326 /nfs/dbraw/zinc/46/83/26/568468326.db2.gz BCIJNLSAKNJLLT-UHFFFAOYSA-N 0 0 417.531 2.500 40 70 HFIBRN CCc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1C ZINC000216860809 568468427 /nfs/dbraw/zinc/46/84/27/568468427.db2.gz KNYZZIAWSQPZCN-UHFFFAOYSA-N 0 0 401.532 2.746 40 70 HFIBRN CCOc1ccccc1N(CC(=O)N(C)Cc1ccc(OC)cc1)S(C)(=O)=O ZINC000218257057 568476987 /nfs/dbraw/zinc/47/69/87/568476987.db2.gz HTVORTBISXLOQR-UHFFFAOYSA-N 0 0 406.504 2.519 40 70 HFIBRN COc1ccc(CCCNC(=O)[C@@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1 ZINC000218275322 568477324 /nfs/dbraw/zinc/47/73/24/568477324.db2.gz RNYVFIRRXWTHDV-MRXNPFEDSA-N 0 0 420.531 2.607 40 70 HFIBRN COc1ccc(OC[C@H](C)NC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000218356461 568479072 /nfs/dbraw/zinc/47/90/72/568479072.db2.gz MYWKMYGKOONCCG-IRXDYDNUSA-N 0 0 420.531 2.742 40 70 HFIBRN COc1ccccc1CCCNC(=O)[C@@H](C)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000218355687 568479083 /nfs/dbraw/zinc/47/90/83/568479083.db2.gz RRRDZJDLMTZHJZ-QGZVFWFLSA-N 0 0 404.532 2.907 40 70 HFIBRN Cc1ccc(N([C@H](C)C(=O)NCCN(C)c2ccccc2)S(C)(=O)=O)cc1C ZINC000218367701 568479329 /nfs/dbraw/zinc/47/93/29/568479329.db2.gz OFQANOZXVYJRPH-GOSISDBHSA-N 0 0 403.548 2.711 40 70 HFIBRN CN(C)S(=O)(=O)N(CC(=O)NCCCc1ccccc1Cl)c1ccccc1 ZINC000218416590 568480029 /nfs/dbraw/zinc/48/00/29/568480029.db2.gz JZIRFLOYGCHKLI-UHFFFAOYSA-N 0 0 409.939 2.702 40 70 HFIBRN CCc1cccc(CC)c1NC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000218431186 568480193 /nfs/dbraw/zinc/48/01/93/568480193.db2.gz MXDREFTXNUSMEF-UHFFFAOYSA-N 0 0 418.515 2.987 40 70 HFIBRN CC(C)NC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000218450577 568480527 /nfs/dbraw/zinc/48/05/27/568480527.db2.gz SEJHFIFQLCZGSK-CQSZACIVSA-N 0 0 421.494 2.757 40 70 HFIBRN Cc1cc(C(=O)NCc2nc(-c3ccccc3Cl)no2)ccc1NS(C)(=O)=O ZINC000218599721 568482276 /nfs/dbraw/zinc/48/22/76/568482276.db2.gz KKJSKXAGGLUOPR-UHFFFAOYSA-N 0 0 420.878 3.000 40 70 HFIBRN CCN(c1ccc(C(=O)N(C)Cc2nc(-c3ccccc3)no2)cc1)S(C)(=O)=O ZINC000218784006 568483666 /nfs/dbraw/zinc/48/36/66/568483666.db2.gz QRYJBEXTYWPWQL-UHFFFAOYSA-N 0 0 414.487 2.795 40 70 HFIBRN COC(=O)c1ccc(Cn2cc([C@@H]3OCCN3Cc3ccc(OC)cc3)nn2)cc1 ZINC000216778860 568467181 /nfs/dbraw/zinc/46/71/81/568467181.db2.gz OZZOEXGEAGTOLJ-NRFANRHFSA-N 0 0 408.458 2.653 40 70 HFIBRN COc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000216784016 568467218 /nfs/dbraw/zinc/46/72/18/568467218.db2.gz IATRUDPWRITKFH-UHFFFAOYSA-N 0 0 417.531 2.500 40 70 HFIBRN CCc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000216854178 568468302 /nfs/dbraw/zinc/46/83/02/568468302.db2.gz ZDUWZPKYOSTVEH-UHFFFAOYSA-N 0 0 401.532 2.746 40 70 HFIBRN CSc1cccc(NC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)c1 ZINC000216884454 568469049 /nfs/dbraw/zinc/46/90/49/568469049.db2.gz XNUKDRPHNYHUPH-UHFFFAOYSA-N 0 0 419.572 2.738 40 70 HFIBRN CC[C@@H](NC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1)c1ccccc1 ZINC000216888708 568469068 /nfs/dbraw/zinc/46/90/68/568469068.db2.gz AQICGNYYPFSHLB-OAQYLSRUSA-N 0 0 415.559 2.645 40 70 HFIBRN C[NH+]1CCC(CCNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2)CC1 ZINC000216940225 568469483 /nfs/dbraw/zinc/46/94/83/568469483.db2.gz VFAKSYCWPUQWTQ-UHFFFAOYSA-N 0 0 401.532 2.949 40 70 HFIBRN CCN(Cc1nc(-c2cccs2)no1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000218227658 568476603 /nfs/dbraw/zinc/47/66/03/568476603.db2.gz VTUAAWPSWYDSRJ-UHFFFAOYSA-N 0 0 420.516 2.613 40 70 HFIBRN Cc1cccc(N(CC(=O)NCCCN2CCCc3ccccc32)S(C)(=O)=O)c1 ZINC000218233071 568476714 /nfs/dbraw/zinc/47/67/14/568476714.db2.gz WFSRPZYVILSVBA-UHFFFAOYSA-N 0 0 415.559 2.720 40 70 HFIBRN CCOc1ccc(N(CC(=O)N[C@H](C)CCc2ccccc2)S(C)(=O)=O)cc1 ZINC000218258323 568476950 /nfs/dbraw/zinc/47/69/50/568476950.db2.gz CPGMRYUEENYMCQ-QGZVFWFLSA-N 0 0 404.532 2.989 40 70 HFIBRN COc1ccc(CN(C)C(=O)[C@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1 ZINC000218274160 568477187 /nfs/dbraw/zinc/47/71/87/568477187.db2.gz RNZXPJWAZXZDIG-HNNXBMFYSA-N 0 0 406.504 2.517 40 70 HFIBRN COc1ccc(N([C@@H](C)C(=O)NCc2cccc(OC(C)C)c2)S(C)(=O)=O)cc1 ZINC000218274377 568477196 /nfs/dbraw/zinc/47/71/96/568477196.db2.gz LTKKGKQXVRGORV-INIZCTEOSA-N 0 0 420.531 2.953 40 70 HFIBRN CN(c1ccccc1C(=O)NCc1nc(-c2ccc(Cl)cc2)no1)S(C)(=O)=O ZINC000218345212 568478822 /nfs/dbraw/zinc/47/88/22/568478822.db2.gz KSOUWDPIORULJP-UHFFFAOYSA-N 0 0 420.878 2.716 40 70 HFIBRN CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000218405877 568479909 /nfs/dbraw/zinc/47/99/09/568479909.db2.gz IGGDGLSQZYHDJL-UHFFFAOYSA-N 0 0 406.489 2.832 40 70 HFIBRN Cc1cc(Cl)ccc1NC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000218429789 568480195 /nfs/dbraw/zinc/48/01/95/568480195.db2.gz XNPKBXPABYDBMU-UHFFFAOYSA-N 0 0 410.879 2.824 40 70 HFIBRN CCS(=O)(=O)N(C)c1ccc(C(=O)NCc2nc(-c3ccc(C)cc3)no2)cc1 ZINC000218444063 568480456 /nfs/dbraw/zinc/48/04/56/568480456.db2.gz LADKTURYUCYBSI-UHFFFAOYSA-N 0 0 414.487 2.761 40 70 HFIBRN Cc1ccc(OC[C@@H](C)NC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000218460946 568480620 /nfs/dbraw/zinc/48/06/20/568480620.db2.gz VQEDXBLMJXGHTH-CVEARBPZSA-N 0 0 408.495 2.872 40 70 HFIBRN Cc1ccc(-c2noc(CNC(=O)c3ccc(NS(C)(=O)=O)c(C)c3)n2)cc1 ZINC000218599326 568482243 /nfs/dbraw/zinc/48/22/43/568482243.db2.gz HYNJQDICIRWDIX-UHFFFAOYSA-N 0 0 400.460 2.655 40 70 HFIBRN COc1ccc(CCCNC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)cc1OC ZINC000218596521 568482268 /nfs/dbraw/zinc/48/22/68/568482268.db2.gz QRWPLBNMBBFLCP-UHFFFAOYSA-N 0 0 406.504 2.746 40 70 HFIBRN Cc1ccc([C@@H](C)NC(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)cc1C ZINC000218763168 568483378 /nfs/dbraw/zinc/48/33/78/568483378.db2.gz LRZPGTZENFMMCY-QGZVFWFLSA-N 0 0 404.532 2.951 40 70 HFIBRN COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1cccc(Cl)c1 ZINC000216787398 568467489 /nfs/dbraw/zinc/46/74/89/568467489.db2.gz NNUNVJZQFDKKHR-UHFFFAOYSA-N 0 0 423.922 2.537 40 70 HFIBRN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1Cl ZINC000216796371 568467662 /nfs/dbraw/zinc/46/76/62/568467662.db2.gz OTVGPMHVDIMWQM-UHFFFAOYSA-N 0 0 423.922 2.537 40 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408.458 2.507 40 70 HFIBRN Cc1ccc(N(CC(=O)NCCCN2CCCc3ccccc32)S(C)(=O)=O)cc1 ZINC000218235828 568476719 /nfs/dbraw/zinc/47/67/19/568476719.db2.gz ULXFHSCIHJODME-UHFFFAOYSA-N 0 0 415.559 2.720 40 70 HFIBRN C[C@@H](C(=O)NCCCN1CCCc2ccccc21)N(c1ccccc1)S(C)(=O)=O ZINC000218292894 568477831 /nfs/dbraw/zinc/47/78/31/568477831.db2.gz BALORUCJXSWZQT-SFHVURJKSA-N 0 0 415.559 2.800 40 70 HFIBRN CCc1ccc(N(CC(=O)N2CCN(c3ccccc3F)CC2)S(C)(=O)=O)cc1 ZINC000218307361 568478207 /nfs/dbraw/zinc/47/82/07/568478207.db2.gz NBKOZCUMNOLDTG-UHFFFAOYSA-N 0 0 419.522 2.503 40 70 HFIBRN CC[C@@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(OC)c(OC)c1 ZINC000218337314 568478671 /nfs/dbraw/zinc/47/86/71/568478671.db2.gz FWOGMWVOGOJOCO-QGZVFWFLSA-N 0 0 406.504 2.981 40 70 HFIBRN Cc1ccc(-c2noc(CN(C)C(=O)c3ccc(NS(C)(=O)=O)cc3)n2)cc1 ZINC000218405165 568479824 /nfs/dbraw/zinc/47/98/24/568479824.db2.gz ROCRURXTSAOGIU-UHFFFAOYSA-N 0 0 400.460 2.689 40 70 HFIBRN Cc1ccc(C)c(N([C@@H](C)C(=O)NCCN(C)c2ccccc2)S(C)(=O)=O)c1 ZINC000218547539 568481627 /nfs/dbraw/zinc/48/16/27/568481627.db2.gz FAYBRYYBAFDEIJ-SFHVURJKSA-N 0 0 403.548 2.711 40 70 HFIBRN CC(C)(C)c1ccc(N(CC(=O)NCc2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 ZINC000218562236 568481807 /nfs/dbraw/zinc/48/18/07/568481807.db2.gz IIRSFZBVGUXRLD-UHFFFAOYSA-N 0 0 418.515 2.795 40 70 HFIBRN CC[C@H](NC(=O)c1ccc(NS(C)(=O)=O)c(C)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000218598999 568482251 /nfs/dbraw/zinc/48/22/51/568482251.db2.gz DUPFQKYLDUJFJG-KRWDZBQOSA-N 0 0 424.544 2.651 40 70 HFIBRN Cc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)c1C ZINC000216854831 568468273 /nfs/dbraw/zinc/46/82/73/568468273.db2.gz CMJJNKDFZURKGK-UHFFFAOYSA-N 0 0 401.532 2.800 40 70 HFIBRN CCOc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)c1 ZINC000216858526 568468495 /nfs/dbraw/zinc/46/84/95/568468495.db2.gz YRYQTZHAEZMFRA-UHFFFAOYSA-N 0 0 417.531 2.582 40 70 HFIBRN Cc1ccc([C@@H](C)NC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1C ZINC000216868558 568468764 /nfs/dbraw/zinc/46/87/64/568468764.db2.gz 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COc1cc(CNC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)ccc1OC(C)C ZINC000218283985 568477410 /nfs/dbraw/zinc/47/74/10/568477410.db2.gz DFHHYWGVJAXCSG-MRXNPFEDSA-N 0 0 420.531 2.953 40 70 HFIBRN O=C(NCc1nc(-c2cccc(Br)c2)no1)[C@@H]1COc2ccccc2O1 ZINC000218301384 568478059 /nfs/dbraw/zinc/47/80/59/568478059.db2.gz OMOSPLLHAXRTDA-HNNXBMFYSA-N 0 0 416.231 2.955 40 70 HFIBRN COc1ccc(-c2noc(CN(C)C(=O)[C@H]3COc4ccccc4O3)n2)c(OC)c1 ZINC000218302184 568478078 /nfs/dbraw/zinc/47/80/78/568478078.db2.gz YSYFAQZNGKFKOA-GOSISDBHSA-N 0 0 411.414 2.552 40 70 HFIBRN CN(c1ccc(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1)S(C)(=O)=O ZINC000218338446 568478739 /nfs/dbraw/zinc/47/87/39/568478739.db2.gz LIRMKQIJQPMEBP-UHFFFAOYSA-N 0 0 420.878 2.716 40 70 HFIBRN COc1ccc(OC[C@H](C)NC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000218356297 568479114 /nfs/dbraw/zinc/47/91/14/568479114.db2.gz MYWKMYGKOONCCG-DLBZAZTESA-N 0 0 420.531 2.742 40 70 HFIBRN CCS(=O)(=O)N(C)c1ccc(C(=O)N(C)Cc2nc(-c3cccs3)no2)cc1 ZINC000218445447 568480442 /nfs/dbraw/zinc/48/04/42/568480442.db2.gz KOZDKYBXLKCODA-UHFFFAOYSA-N 0 0 420.516 2.856 40 70 HFIBRN COc1cccc(CCCNC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c1 ZINC000218457589 568480686 /nfs/dbraw/zinc/48/06/86/568480686.db2.gz WVYARGVZQMWAPV-OAHLLOKOSA-N 0 0 408.495 2.738 40 70 HFIBRN Cc1ccc(C(=O)NCCCc2ccc(F)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000218520203 568481368 /nfs/dbraw/zinc/48/13/68/568481368.db2.gz QHVVOLRTLIKKPX-UHFFFAOYSA-N 0 0 420.506 2.518 40 70 HFIBRN CC[C@H](NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000218589484 568482132 /nfs/dbraw/zinc/48/21/32/568482132.db2.gz QAELGZOEZIIMTN-KRWDZBQOSA-N 0 0 424.544 2.651 40 70 HFIBRN Cc1cccc(-c2noc(CN(C)C(=O)c3ccc(NS(C)(=O)=O)c(C)c3)n2)c1 ZINC000218600100 568482277 /nfs/dbraw/zinc/48/22/77/568482277.db2.gz MLDXYCBCDPPFTH-UHFFFAOYSA-N 0 0 414.487 2.997 40 70 HFIBRN Cc1ccc(-c2noc(CN(C)C(=O)c3ccc(NS(C)(=O)=O)c(C)c3)n2)cc1 ZINC000218600217 568482371 /nfs/dbraw/zinc/48/23/71/568482371.db2.gz GRPBAOHSOVSCQD-UHFFFAOYSA-N 0 0 414.487 2.997 40 70 HFIBRN Cc1cc(C(=O)N(C)Cc2nc(-c3cccs3)no2)ccc1NS(C)(=O)=O ZINC000218600710 568482399 /nfs/dbraw/zinc/48/23/99/568482399.db2.gz VOURKBKJRVGMIO-UHFFFAOYSA-N 0 0 406.489 2.750 40 70 HFIBRN CCOc1ccc(CCCNC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1 ZINC000218770138 568483540 /nfs/dbraw/zinc/48/35/40/568483540.db2.gz LXKXYULKHNJTFU-UHFFFAOYSA-N 0 0 419.547 2.691 40 70 HFIBRN CCOC[C@]1(C(N)=S)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218162891 568926888 /nfs/dbraw/zinc/92/68/88/568926888.db2.gz ZOHZOSCRVLSLHD-HBFSDRIKSA-N 0 0 419.524 2.664 40 70 HFIBRN O=C(CCc1ccc(C(F)(F)F)cc1)N1CCc2cnc(N3CCOCC3)nc2C1 ZINC000217620997 569050760 /nfs/dbraw/zinc/05/07/60/569050760.db2.gz VLFXDTZXHCDZJC-UHFFFAOYSA-N 0 0 420.435 2.850 40 70 HFIBRN Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)c(C)c1 ZINC000216860623 568468484 /nfs/dbraw/zinc/46/84/84/568468484.db2.gz XGZDPUAPKIHPGI-UHFFFAOYSA-N 0 0 401.532 2.800 40 70 HFIBRN Cc1ccc([C@H](C)NC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1C ZINC000216868585 568468788 /nfs/dbraw/zinc/46/87/88/568468788.db2.gz AHJXPRBDMLDFDA-SFHVURJKSA-N 0 0 415.559 2.731 40 70 HFIBRN Cc1ccc(Cl)cc1NC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1 ZINC000216883782 568469060 /nfs/dbraw/zinc/46/90/60/568469060.db2.gz XTMKNPRXEIZSQG-UHFFFAOYSA-N 0 0 421.950 2.978 40 70 HFIBRN C[C@H]1C(=O)C[C@H](c2ccco2)N2C(=O)[C@H]3[C@@H](C(=O)Nc4ccccc4)[C@H]4C=C[C@@]3(O4)[C@@H]12 ZINC000217509978 568472517 /nfs/dbraw/zinc/47/25/17/568472517.db2.gz WPBZOXULLMVBCB-RURQLNNESA-N 0 0 418.449 2.719 40 70 HFIBRN Cc1cccc(-c2noc(CNC(=O)[C@@H](C)N(c3ccccc3)S(C)(=O)=O)n2)c1 ZINC000218290388 568477745 /nfs/dbraw/zinc/47/77/45/568477745.db2.gz DAWPXTAPAIIKEX-OAHLLOKOSA-N 0 0 414.487 2.516 40 70 HFIBRN CCc1ccc(N(CC(=O)N[C@H](C)COc2ccc(OC)cc2)S(C)(=O)=O)cc1 ZINC000218308021 568478198 /nfs/dbraw/zinc/47/81/98/568478198.db2.gz RINAFFYNAHDOSG-MRXNPFEDSA-N 0 0 420.531 2.607 40 70 HFIBRN CCc1ccc(N(CC(=O)N2CCN(c3ccc(F)cc3)CC2)S(C)(=O)=O)cc1 ZINC000218307294 568478249 /nfs/dbraw/zinc/47/82/49/568478249.db2.gz DGMBNNWZQMPUGO-UHFFFAOYSA-N 0 0 419.522 2.503 40 70 HFIBRN Cc1cc(C)cc(N([C@@H](C)C(=O)NCCN(C)c2ccccc2)S(C)(=O)=O)c1 ZINC000218376719 568479406 /nfs/dbraw/zinc/47/94/06/568479406.db2.gz QRYSNFPCXVTSSO-SFHVURJKSA-N 0 0 403.548 2.711 40 70 HFIBRN Cc1ccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000218511166 568481233 /nfs/dbraw/zinc/48/12/33/568481233.db2.gz FGTRCDVPNDNTQO-UHFFFAOYSA-N 0 0 402.516 2.897 40 70 HFIBRN COC[C@@]1(C(N)=S)[C@@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218114312 568925916 /nfs/dbraw/zinc/92/59/16/568925916.db2.gz BWTFIKOPMRIFHW-CMKODMSKSA-N 0 0 405.541 2.862 40 70 HFIBRN Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1c(C)cccc1C ZINC000216860712 568468419 /nfs/dbraw/zinc/46/84/19/568468419.db2.gz ICPLTEWABHTYIZ-UHFFFAOYSA-N 0 0 401.532 2.800 40 70 HFIBRN CCOC[C@@]1(C(N)=S)[C@@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218102913 568475140 /nfs/dbraw/zinc/47/51/40/568475140.db2.gz YZDYEVBBUQQBDF-CMKODMSKSA-N 0 0 405.541 2.944 40 70 HFIBRN Cc1nn(C)c2nc(C(C)C)cc(C(=O)N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)c12 ZINC000218125258 568475284 /nfs/dbraw/zinc/47/52/84/568475284.db2.gz YECKMWXNBPKWBJ-JKSUJKDBSA-N 0 0 405.502 2.821 40 70 HFIBRN COc1ccc(N([C@H](C)C(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000218274956 568477204 /nfs/dbraw/zinc/47/72/04/568477204.db2.gz PGNMCBZKQTZMLI-OAHLLOKOSA-N 0 0 408.495 2.738 40 70 HFIBRN CC(C)(C)NC(=O)c1ccccc1NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000218322565 568478363 /nfs/dbraw/zinc/47/83/63/568478363.db2.gz OKCABKVUIFWEJC-UHFFFAOYSA-N 0 0 421.494 2.759 40 70 HFIBRN CC(C)c1ccc(CCCNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 ZINC000218331019 568478604 /nfs/dbraw/zinc/47/86/04/568478604.db2.gz FSKPOILNPQVRES-UHFFFAOYSA-N 0 0 400.500 2.704 40 70 HFIBRN Cc1ccc(-c2noc(CN(C)C(=O)c3ccc(N(C)S(C)(=O)=O)cc3)n2)cc1 ZINC000218338872 568478743 /nfs/dbraw/zinc/47/87/43/568478743.db2.gz ASHXETMOOIAPHN-UHFFFAOYSA-N 0 0 414.487 2.713 40 70 HFIBRN COc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000218356228 568479064 /nfs/dbraw/zinc/47/90/64/568479064.db2.gz MYWKMYGKOONCCG-IAGOWNOFSA-N 0 0 420.531 2.742 40 70 HFIBRN Cc1ccc(N([C@@H](C)C(=O)NCCN(C)c2ccccc2)S(C)(=O)=O)cc1C ZINC000218367618 568479326 /nfs/dbraw/zinc/47/93/26/568479326.db2.gz OFQANOZXVYJRPH-SFHVURJKSA-N 0 0 403.548 2.711 40 70 HFIBRN Cc1cccc(-c2noc(CN(C)C(=O)c3ccc(NS(C)(=O)=O)cc3)n2)c1 ZINC000218405063 568479791 /nfs/dbraw/zinc/47/97/91/568479791.db2.gz AENXPHUIGKLUPJ-UHFFFAOYSA-N 0 0 400.460 2.689 40 70 HFIBRN CC(C)Oc1ccc(NC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 ZINC000218432935 568480351 /nfs/dbraw/zinc/48/03/51/568480351.db2.gz XBASUUYGMCNYJQ-UHFFFAOYSA-N 0 0 420.487 2.650 40 70 HFIBRN Cc1ccccc1OC[C@H](C)NC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000218460525 568480667 /nfs/dbraw/zinc/48/06/67/568480667.db2.gz OZDCPZPJXMSNKL-JKSUJKDBSA-N 0 0 408.495 2.872 40 70 HFIBRN Cc1ccc(-c2noc(CN(C)C(=O)c3cccc(NS(C)(=O)=O)c3)n2)cc1 ZINC000218570675 568481857 /nfs/dbraw/zinc/48/18/57/568481857.db2.gz DLEQTJSRZFNFDB-UHFFFAOYSA-N 0 0 400.460 2.689 40 70 HFIBRN CCOC[C@]1(C(N)=S)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218102664 568925765 /nfs/dbraw/zinc/92/57/65/568925765.db2.gz YZDYEVBBUQQBDF-HBFSDRIKSA-N 0 0 405.541 2.944 40 70 HFIBRN COC[C@]1(C(N)=S)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218114123 568925900 /nfs/dbraw/zinc/92/59/00/568925900.db2.gz BWTFIKOPMRIFHW-HBFSDRIKSA-N 0 0 405.541 2.862 40 70 HFIBRN CC(C)Oc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)c1 ZINC000216866903 568468625 /nfs/dbraw/zinc/46/86/25/568468625.db2.gz VACKYCPLVPSHSX-UHFFFAOYSA-N 0 0 417.531 2.662 40 70 HFIBRN Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCc1ccccc1Cl ZINC000216862780 568468667 /nfs/dbraw/zinc/46/86/67/568468667.db2.gz DRYBUEUGJZZYDZ-UHFFFAOYSA-N 0 0 421.950 2.515 40 70 HFIBRN C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl)c1ccccc1 ZINC000216874229 568468820 /nfs/dbraw/zinc/46/88/20/568468820.db2.gz XAIUPOIHDHKNML-HNNXBMFYSA-N 0 0 421.950 2.767 40 70 HFIBRN Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC[C@@H](C)C4)[nH]c(=O)c32)c(F)c1 ZINC000217816442 568474057 /nfs/dbraw/zinc/47/40/57/568474057.db2.gz BLIAVVSVFQAAJL-CHWSQXEVSA-N 0 0 413.453 2.518 40 70 HFIBRN COc1ccc(-c2noc(CN(C)C(=O)c3ccc(CN4CCOCC4)cc3)n2)cc1 ZINC000218077327 568475049 /nfs/dbraw/zinc/47/50/49/568475049.db2.gz LQEYLUPNIBSVEK-UHFFFAOYSA-N 0 0 422.485 2.850 40 70 HFIBRN COc1ccc(OC[C@@H](C)NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 ZINC000218238471 568476739 /nfs/dbraw/zinc/47/67/39/568476739.db2.gz YQHCAQAHHMNWTA-QGZVFWFLSA-N 0 0 420.531 2.662 40 70 HFIBRN CCOc1ccc(CNC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1OCC ZINC000218283878 568477448 /nfs/dbraw/zinc/47/74/48/568477448.db2.gz VQBNSXVHGUGPDQ-INIZCTEOSA-N 0 0 420.531 2.955 40 70 HFIBRN CN(c1ccccc1C(=O)NCCCN1CCCc2ccccc21)S(C)(=O)=O ZINC000218346387 568478853 /nfs/dbraw/zinc/47/88/53/568478853.db2.gz LUGJPWKUGLFEEM-UHFFFAOYSA-N 0 0 401.532 2.655 40 70 HFIBRN Cc1ccc(N([C@@H](C)C(=O)NCCCN(C)c2ccccc2)S(C)(=O)=O)cc1 ZINC000218363942 568479220 /nfs/dbraw/zinc/47/92/20/568479220.db2.gz ZBFDWVKMHQTFPP-SFHVURJKSA-N 0 0 403.548 2.792 40 70 HFIBRN COc1ccc(CCCNC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000218457835 568480688 /nfs/dbraw/zinc/48/06/88/568480688.db2.gz MEFUPDKXXGLDHR-HNNXBMFYSA-N 0 0 408.495 2.738 40 70 HFIBRN COc1ccc(CCNC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 ZINC000218467018 568480746 /nfs/dbraw/zinc/48/07/46/568480746.db2.gz BORCNIUGNCLCLG-AWEZNQCLSA-N 0 0 410.923 2.862 40 70 HFIBRN C[C@H](C(=O)NCCCN(C)c1ccccc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000218465242 568480762 /nfs/dbraw/zinc/48/07/62/568480762.db2.gz IHJPYFQGUANFTA-MRXNPFEDSA-N 0 0 407.511 2.623 40 70 HFIBRN C[C@H](C(=O)NCCN(C)c1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000218476088 568480870 /nfs/dbraw/zinc/48/08/70/568480870.db2.gz PFKHZNSNOWLCMG-OAHLLOKOSA-N 0 0 409.939 2.747 40 70 HFIBRN Cc1ccc(C(=O)Nc2ccccc2C(N)=O)cc1S(=O)(=O)N1CCCCCC1 ZINC000218517392 568481415 /nfs/dbraw/zinc/48/14/15/568481415.db2.gz LIVCWMQMIRCRBA-UHFFFAOYSA-N 0 0 415.515 2.911 40 70 HFIBRN COc1ccc(CCCNC(=O)c2cccc(NS(C)(=O)=O)c2C)cc1OC ZINC000218579041 568481992 /nfs/dbraw/zinc/48/19/92/568481992.db2.gz LQTMRZUKTNDJQD-UHFFFAOYSA-N 0 0 406.504 2.746 40 70 HFIBRN Cc1ccc(C(=O)NCc2nc(-c3ccccc3Cl)no2)cc1NS(C)(=O)=O ZINC000218590195 568482149 /nfs/dbraw/zinc/48/21/49/568482149.db2.gz ZGQVQOPKVHAAOY-UHFFFAOYSA-N 0 0 420.878 3.000 40 70 HFIBRN Cc1ccc(-c2noc(CNC(=O)c3ccc(C)c(NS(C)(=O)=O)c3)n2)cc1 ZINC000218589803 568482159 /nfs/dbraw/zinc/48/21/59/568482159.db2.gz UVQALKKUJFRCHG-UHFFFAOYSA-N 0 0 400.460 2.655 40 70 HFIBRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000218754529 568483282 /nfs/dbraw/zinc/48/32/82/568483282.db2.gz GOTUPGWDTQLKJI-HXUWFJFHSA-N 0 0 418.515 2.692 40 70 HFIBRN CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1)c1ccccc1 ZINC000216859495 568468444 /nfs/dbraw/zinc/46/84/44/568468444.db2.gz JVRVPPAVKJRATB-HXUWFJFHSA-N 0 0 415.559 2.812 40 70 HFIBRN Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1cccc(Cl)c1 ZINC000216860923 568468478 /nfs/dbraw/zinc/46/84/78/568468478.db2.gz PVRMMRURYUWFSN-UHFFFAOYSA-N 0 0 407.923 2.837 40 70 HFIBRN CN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C)CC2)c1)C1CCCCC1 ZINC000216873078 568468796 /nfs/dbraw/zinc/46/87/96/568468796.db2.gz HIIMLHLRMJLCPB-UHFFFAOYSA-N 0 0 413.971 2.681 40 70 HFIBRN COc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000216869590 568468846 /nfs/dbraw/zinc/46/88/46/568468846.db2.gz RIRDEOYEWHOPSE-UHFFFAOYSA-N 0 0 423.922 2.537 40 70 HFIBRN CCc1ccccc1NC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1 ZINC000216881658 568469008 /nfs/dbraw/zinc/46/90/08/568469008.db2.gz BFZMCBMTVWPOOI-UHFFFAOYSA-N 0 0 401.532 2.579 40 70 HFIBRN COc1ccc2c(c1)CCc1c(C(=O)N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)[nH]nc1-2 ZINC000217952117 568474311 /nfs/dbraw/zinc/47/43/11/568474311.db2.gz SNRYBEQUNMRPHT-GOEBONIOSA-N 0 0 416.481 2.605 40 70 HFIBRN COc1ccc(N([C@@H](C)C(=O)NCCCc2ccccc2OC)S(C)(=O)=O)cc1 ZINC000218275031 568477168 /nfs/dbraw/zinc/47/71/68/568477168.db2.gz GGMOARPWSQNCBT-INIZCTEOSA-N 0 0 420.531 2.607 40 70 HFIBRN Cc1cc(C)cc(N([C@H](C)C(=O)NCCN(C)c2ccccc2)S(C)(=O)=O)c1 ZINC000218376803 568479399 /nfs/dbraw/zinc/47/93/99/568479399.db2.gz QRYSNFPCXVTSSO-GOSISDBHSA-N 0 0 403.548 2.711 40 70 HFIBRN Cc1c(NS(C)(=O)=O)cccc1C(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000218581972 568481989 /nfs/dbraw/zinc/48/19/89/568481989.db2.gz UOHFIVSKFCWDOY-UHFFFAOYSA-N 0 0 420.878 3.000 40 70 HFIBRN Cc1ccc(C(=O)N(C)Cc2nc(-c3ccccc3)no2)cc1NS(C)(=O)=O ZINC000218590378 568482152 /nfs/dbraw/zinc/48/21/52/568482152.db2.gz AJPPLBDRMJDDKS-UHFFFAOYSA-N 0 0 400.460 2.689 40 70 HFIBRN CN(Cc1ccc(OCC(=O)NCCCc2ccccc2Cl)cc1)S(C)(=O)=O ZINC000218761715 568483388 /nfs/dbraw/zinc/48/33/88/568483388.db2.gz JBHOGLARGRWNTK-UHFFFAOYSA-N 0 0 424.950 2.859 40 70 HFIBRN CN(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl ZINC000216874293 568468757 /nfs/dbraw/zinc/46/87/57/568468757.db2.gz NAFHCUSJRGNEPA-UHFFFAOYSA-N 0 0 421.950 2.548 40 70 HFIBRN CN(C(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl)c1ccccc1 ZINC000216879735 568468911 /nfs/dbraw/zinc/46/89/11/568468911.db2.gz SZGCLEYXFWOQBB-UHFFFAOYSA-N 0 0 407.923 2.553 40 70 HFIBRN Cc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)cc1 ZINC000216875955 568468962 /nfs/dbraw/zinc/46/89/62/568468962.db2.gz BWFLBDPYNRUGCQ-UHFFFAOYSA-N 0 0 421.950 2.515 40 70 HFIBRN CC[C@H](NC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1)c1ccccc1 ZINC000216888751 568469141 /nfs/dbraw/zinc/46/91/41/568469141.db2.gz AQICGNYYPFSHLB-NRFANRHFSA-N 0 0 415.559 2.645 40 70 HFIBRN O=C1[C@H]2[C@@H](C(=O)N1C1CCCCC1)[C@H]1C=C[C@@H]2[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21 ZINC000217492330 568472371 /nfs/dbraw/zinc/47/23/71/568472371.db2.gz MCOZDZJHNKOQRG-DWIKVQACSA-N 0 0 410.514 2.670 40 70 HFIBRN CC(=O)c1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccccc4)N4CCC[C@H]34)C2O)cc1 ZINC000217589193 568472932 /nfs/dbraw/zinc/47/29/32/568472932.db2.gz GRQHNJFGNPBKRZ-MXEMCNAFSA-N 0 0 402.450 2.724 40 70 HFIBRN O=C([C@H]1CC[C@H](Cn2cnnn2)CC1)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000217966320 568474293 /nfs/dbraw/zinc/47/42/93/568474293.db2.gz 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